[4-[3-[3-acetamidopropyl-[4-[3-acetamidopropyl(acetyl)amino]butyl]amino]-3-oxopropyl]phenyl] acetate structure

[4-[3-[3-acetamidopropyl-[4-[3-acetamidopropyl(acetyl)amino]butyl]amino]-3-oxopropyl]phenyl] acetate

TL;DR: [4-[3-[3-acetamidopropyl-[4-[3-acetamidopropyl(acetyl)amino]butyl]amino]-3-oxopropyl]phenyl] acetate (CAS 42920-02-5) is a chemical compound with molecular formula C27H42N4O6 and molecular weight 518.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.

[4-[3-[3-acetamidopropyl-[4-[3-acetamidopropyl(acetyl)amino]butyl]amino]-3-oxopropyl]phenyl] acetate

Also Known As: [4-[3-[3-acetamidopropyl-[4-[3-acetamidopropyl(acetyl)amino]butyl]amino]-3-oxopropyl]phenyl] acetate|Benzenepropanamide, N-[4-[acetyl[3-(acetylamino)propyl]amino]butyl]-N-[3-(acetylamino)propyl]-4-(acetyloxy)-|[4-[2-[3-acetamidopropyl-[4-(3-acetamidopropyl-acetyl-amino)butyl]carbamoyl]ethyl]phenyl] Acetate|4-(3-((4-(Acetyl[3-(acetylamino)propyl]amino)butyl)[3-(acetylamino)propyl]amino)-3-oxopropyl)phenyl acetate #|4-(3-{(4-{acetyl[3-(acetylamino)propyl]amino}butyl)[3-(acetylamino)propyl]amino}-3-oxopropyl)phenyl acetate|4-{2-[(3-acetamidopropyl)({4-[N-(3-acetamidopropyl)acetamido]butyl})carbamoyl]ethyl}phenyl acetate|4-{3-[(3-Acetamidopropyl){4-[N-(3-acetamidopropyl)acetamido]butyl}amino]-3-oxopropyl}phenyl acetate|N-[3-(Acetylamino)propyl]-N-[4-[acetyl[3-(acetylamino)propyl]amino]butyl]-3-(4-acetoxyphenyl)propanamide|N-[4-[Acetyl[3-(acetylamino)propyl]amino]butyl]-N-[3-(acetylamino)propyl]-4-(acetyloxy)benzenepropanamide|XJHGJFRANKYJIL-UHFFFAOYSA-N

CAS: 42920-02-5
Molecular Formula C27H42N4O6
Molecular Weight 518.31 g/mol
LogP 0.9
Topological Polar Surface Area 125.0 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
Rotatable Bonds 18
Exact Mass 518.3104
Heavy Atoms 37
Complexity 736.0

Chemical Identifiers

CAS Number 42920-02-5
SMILES CC(=O)NCCCN(CCCCN(CCCNC(=O)C)C(=O)CCC1=CC=C(C=C1)OC(=O)C)C(=O)C
InChIKey XJHGJFRANKYJIL-UHFFFAOYSA-N

Product Overview

[4-[3-[3-acetamidopropyl-[4-[3-acetamidopropyl(acetyl)amino]butyl]amino]-3-oxopropyl]phenyl] acetate (CAS 42920-02-5), with molecular formula C27H42N4O6 and molecular weight 518.31 g/mol. IUPAC: [4-[3-[3-acetamidopropyl-[4-[3-acetamidopropyl(acetyl)amino]butyl]amino]-3-oxopropyl]phenyl] acetate.

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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 [4-[3-[3-acetamidopropyl-[4-[3-acetamidopropyl(acetyl)amino]butyl]amino]-3-oxopropyl]phenyl] acetate

XLogP
0.9
TPSA (Topological Polar Surface Area)
125.0
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
6
Rotatable Bonds
18
Heavy Atoms
37
Complexity
736.0
Exact Mass
518.3104
Monoisotopic Mass
518.3104
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 [4-[3-[3-acetamidopropyl-[4-[3-acetamidopropyl(acetyl)amino]butyl]amino]-3-oxopropyl]phenyl] acetate

The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-[3-[3-acetamidopropyl-[4-[3-acetamidopropyl(acetyl)amino]butyl]amino]-3-oxopropyl]phenyl] acetate. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-[3-[3-acetamidopropyl-[4-[3-acetamidopropyl(acetyl)amino]butyl]amino]-3-oxopropyl]phenyl] acetate. Following Lipinski's Rule of Five, [4-[3-[3-acetamidopropyl-[4-[3-acetamidopropyl(acetyl)amino]butyl]amino]-3-oxopropyl]phenyl] acetate has 2 hydrogen bond donor(s) and 6 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.
Do you ship internationally?
Yes, we ship to most countries worldwide. Shipping costs and delivery times vary by location. Please contact us for specific shipping information.

Frequently Asked Questions

What is the CAS number of [4-[3-[3-acetamidopropyl-[4-[3-acetamidopropyl(acetyl)amino]butyl]amino]-3-oxopropyl]phenyl] acetate?

The CAS number of [4-[3-[3-acetamidopropyl-[4-[3-acetamidopropyl(acetyl)amino]butyl]amino]-3-oxopropyl]phenyl] acetate is 42920-02-5.

What is the molecular formula of [4-[3-[3-acetamidopropyl-[4-[3-acetamidopropyl(acetyl)amino]butyl]amino]-3-oxopropyl]phenyl] acetate?

The molecular formula of [4-[3-[3-acetamidopropyl-[4-[3-acetamidopropyl(acetyl)amino]butyl]amino]-3-oxopropyl]phenyl] acetate is C27H42N4O6.

What is the molecular weight of [4-[3-[3-acetamidopropyl-[4-[3-acetamidopropyl(acetyl)amino]butyl]amino]-3-oxopropyl]phenyl] acetate?

The molecular weight of [4-[3-[3-acetamidopropyl-[4-[3-acetamidopropyl(acetyl)amino]butyl]amino]-3-oxopropyl]phenyl] acetate is 518.31 g/mol.

Where can I buy [4-[3-[3-acetamidopropyl-[4-[3-acetamidopropyl(acetyl)amino]butyl]amino]-3-oxopropyl]phenyl] acetate?

You can request a quote for [4-[3-[3-acetamidopropyl-[4-[3-acetamidopropyl(acetyl)amino]butyl]amino]-3-oxopropyl]phenyl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.

Does KEHONG BIO offer custom synthesis for [4-[3-[3-acetamidopropyl-[4-[3-acetamidopropyl(acetyl)amino]butyl]amino]-3-oxopropyl]phenyl] acetate?

Yes, KEHONG BIO provides custom synthesis services for [4-[3-[3-acetamidopropyl-[4-[3-acetamidopropyl(acetyl)amino]butyl]amino]-3-oxopropyl]phenyl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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