2-Propenoic acid, 2-methyl-, telomer with 2-[(1,1-dimethylethyl)amino]ethyl 2-methyl-2-propenoate, 1-dodecanethiol, methyl 2-methyl-2-propenoate and rel-(1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 2-methyl-2-propenoate structure

2-Propenoic acid, 2-methyl-, telomer with 2-[(1,1-dimethylethyl)amino]ethyl 2-methyl-2-propenoate, 1-dodecanethiol, methyl 2-methyl-2-propenoate and rel-(1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 2-methyl-2-propenoate

TL;DR: 2-Propenoic acid, 2-methyl-, telomer with 2-[(1,1-dimethylethyl)amino]ethyl 2-methyl-2-propenoate, 1-dodecanethiol, methyl 2-methyl-2-propenoate and rel-(1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 2-methyl-2-propenoate (CAS 71042-85-8) is a chemical compound with molecular formula C45H81NO8S and molecular weight 795.57 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.

2-(tert-butylamino)ethyl 2-methylprop-2-enoate;dodecane-1-thiol;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate

Also Known As: 2-Propenoic acid, 2-methyl-, telomer with 2-[(1,1-dimethylethyl)amino]ethyl 2-methyl-2-propenoate, 1-dodecanethiol, methyl 2-methyl-2-propenoate and rel-(1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 2-methyl-2-propenoate, (C14-H22-O2.C10-H19-N-O2.C5-H8-O2.C4-H6-O2)x-.C12-H26-S, 2-(tert-butylamino)ethyl 2-methylprop-2-enoate; dodecane-1-thiol; methyl 2-methylprop-2-enoate; 2-methylprop-2-enoic acid; [(1S,3S,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate, 2-Propenoic acid, 2-methyl-, telomer with 2-((1,1-dimethylethyl)amino)ethyl 2-methyl-2-propenoate, 1-dodecanethiol, methyl 2-methyl-2-propenoate and rel-(1R,2R,4R)-1,7,7-trimethylbicyclo(2.2.1)hept-2-yl 2-methyl-2-propenoate, 2-Propenoic acid, 2-methyl-, telomer with 2-[(1,1-dimethylethyl)amino]ethyl 2-methyl-2-propenoate, 1-dodecanethiol, methyl 2-methyl-2-propenoate and exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 2-methyl-2-propenoate

CAS: 71042-85-8
Molecular Formula C45H81NO8S
Molecular Weight 795.57 g/mol
LogP 11.034
Topological Polar Surface Area 129.0 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 10
Rotatable Bonds 22
Exact Mass 795.5683
Heavy Atoms 55
Complexity 793.0

Chemical Identifiers

CAS Number 71042-85-8
SMILES CCCCCCCCCCCCS.CC(=C)C(=O)O.CC(=C)C(=O)OC.CC(=C)C(=O)OCCNC(C)(C)C.CC(=C)C(=O)O[C@H]1C[C@@H]2CC[C@]1(C2(C)C)C
InChIKey QHDOKLIMAMMMHZ-RQBLKLESSA-N

Product Overview

2-Propenoic acid, 2-methyl-, telomer with 2-[(1,1-dimethylethyl)amino]ethyl 2-methyl-2-propenoate, 1-dodecanethiol, methyl 2-methyl-2-propenoate and rel-(1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 2-methyl-2-propenoate (CAS 71042-85-8), with molecular formula C45H81NO8S and molecular weight 795.57 g/mol. IUPAC: 2-(tert-butylamino)ethyl 2-methylprop-2-enoate;dodecane-1-thiol;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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Chemical Property Profile of 2-Propenoic acid, 2-methyl-, telomer with 2-[(1,1-dimethylethyl)amino]ethyl 2-methyl-2-propenoate, 1-dodecanethiol, methyl 2-methyl-2-propenoate and rel-(1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 2-methyl-2-propenoate

XLogP
11.034
TPSA (Topological Polar Surface Area)
129.0
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
10
Rotatable Bonds
22
Heavy Atoms
55
Complexity
793.0
Exact Mass
795.5683
Monoisotopic Mass
795.5683
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 2-Propenoic acid, 2-methyl-, telomer with 2-[(1,1-dimethylethyl)amino]ethyl 2-methyl-2-propenoate, 1-dodecanethiol, methyl 2-methyl-2-propenoate and rel-(1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 2-methyl-2-propenoate

The XLogP value of 11.034 indicates that 2-Propenoic acid, 2-methyl-, telomer with 2-[(1,1-dimethylethyl)amino]ethyl 2-methyl-2-propenoate, 1-dodecanethiol, methyl 2-methyl-2-propenoate and rel-(1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 2-methyl-2-propenoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenoic acid, 2-methyl-, telomer with 2-[(1,1-dimethylethyl)amino]ethyl 2-methyl-2-propenoate, 1-dodecanethiol, methyl 2-methyl-2-propenoate and rel-(1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 2-methyl-2-propenoate. Following Lipinski's Rule of Five, 2-Propenoic acid, 2-methyl-, telomer with 2-[(1,1-dimethylethyl)amino]ethyl 2-methyl-2-propenoate, 1-dodecanethiol, methyl 2-methyl-2-propenoate and rel-(1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 2-methyl-2-propenoate has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the typical lead time for this product?
Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.
Can you provide samples for testing?
Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.
What documentation do you provide with the product?
We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
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Frequently Asked Questions

What is the CAS number of 2-Propenoic acid, 2-methyl-, telomer with 2-[(1,1-dimethylethyl)amino]ethyl 2-methyl-2-propenoate, 1-dodecanethiol, methyl 2-methyl-2-propenoate and rel-(1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 2-methyl-2-propenoate?

The CAS number of 2-Propenoic acid, 2-methyl-, telomer with 2-[(1,1-dimethylethyl)amino]ethyl 2-methyl-2-propenoate, 1-dodecanethiol, methyl 2-methyl-2-propenoate and rel-(1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 2-methyl-2-propenoate is 71042-85-8.

What is the molecular formula of 2-Propenoic acid, 2-methyl-, telomer with 2-[(1,1-dimethylethyl)amino]ethyl 2-methyl-2-propenoate, 1-dodecanethiol, methyl 2-methyl-2-propenoate and rel-(1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 2-methyl-2-propenoate?

The molecular formula of 2-Propenoic acid, 2-methyl-, telomer with 2-[(1,1-dimethylethyl)amino]ethyl 2-methyl-2-propenoate, 1-dodecanethiol, methyl 2-methyl-2-propenoate and rel-(1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 2-methyl-2-propenoate is C45H81NO8S.

What is the molecular weight of 2-Propenoic acid, 2-methyl-, telomer with 2-[(1,1-dimethylethyl)amino]ethyl 2-methyl-2-propenoate, 1-dodecanethiol, methyl 2-methyl-2-propenoate and rel-(1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 2-methyl-2-propenoate?

The molecular weight of 2-Propenoic acid, 2-methyl-, telomer with 2-[(1,1-dimethylethyl)amino]ethyl 2-methyl-2-propenoate, 1-dodecanethiol, methyl 2-methyl-2-propenoate and rel-(1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 2-methyl-2-propenoate is 795.57 g/mol.

Where can I buy 2-Propenoic acid, 2-methyl-, telomer with 2-[(1,1-dimethylethyl)amino]ethyl 2-methyl-2-propenoate, 1-dodecanethiol, methyl 2-methyl-2-propenoate and rel-(1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 2-methyl-2-propenoate?

You can request a quote for 2-Propenoic acid, 2-methyl-, telomer with 2-[(1,1-dimethylethyl)amino]ethyl 2-methyl-2-propenoate, 1-dodecanethiol, methyl 2-methyl-2-propenoate and rel-(1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 2-methyl-2-propenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.

Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 2-methyl-, telomer with 2-[(1,1-dimethylethyl)amino]ethyl 2-methyl-2-propenoate, 1-dodecanethiol, methyl 2-methyl-2-propenoate and rel-(1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 2-methyl-2-propenoate?

Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 2-methyl-, telomer with 2-[(1,1-dimethylethyl)amino]ethyl 2-methyl-2-propenoate, 1-dodecanethiol, methyl 2-methyl-2-propenoate and rel-(1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 2-methyl-2-propenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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