Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (3-cyanophenyl)methyl ester, (1R,3R)-
TL;DR: Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (3-cyanophenyl)methyl ester, (1R,3R)- (CAS 82488-17-3) is a chemical compound with molecular formula C18H21NO2 and molecular weight 283.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cis-(3-cyanophenyl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Also Known As: Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (3-cyanophenyl)methyl ester, (1R,3R)-, (3-cyanophenyl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate, (3-Cyanophenyl)methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate, 3-cyanobenzyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate, (1R)-2beta-(2-Methyl-1-propenyl)-3,3-dimethylcyclopropane-1alpha-carboxylic acid 3-cyanobenzyl ester
| Molecular Formula | C18H21NO2 |
|---|---|
| Molecular Weight | 283.16 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 283.15723 |
| Heavy Atoms | 21 |
| Complexity | 479.0 |
Chemical Identifiers
| CAS Number | 82488-17-3 |
|---|---|
| SMILES | CC(=C[C@@H]1[C@H](C1(C)C)C(=O)OCC2=CC(=CC=C2)C#N)C |
| InChIKey | NGTRBEQCNBMLRY-CVEARBPZSA-N |
Product Overview
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (3-cyanophenyl)methyl ester, (1R,3R)- (CAS 82488-17-3), with molecular formula C18H21NO2 and molecular weight 283.16 g/mol. IUPAC: cis-(3-cyanophenyl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate.
Chemical Property Profile of Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (3-cyanophenyl)methyl ester, (1R,3R)-
Property Insights of Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (3-cyanophenyl)methyl ester, (1R,3R)-
The XLogP value of 5.1 indicates that Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (3-cyanophenyl)methyl ester, (1R,3R)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (3-cyanophenyl)methyl ester, (1R,3R)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (3-cyanophenyl)methyl ester, (1R,3R)- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (3-cyanophenyl)methyl ester, (1R,3R)-?
The CAS number of Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (3-cyanophenyl)methyl ester, (1R,3R)- is 82488-17-3.
What is the molecular formula of Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (3-cyanophenyl)methyl ester, (1R,3R)-?
The molecular formula of Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (3-cyanophenyl)methyl ester, (1R,3R)- is C18H21NO2.
What is the molecular weight of Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (3-cyanophenyl)methyl ester, (1R,3R)-?
The molecular weight of Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (3-cyanophenyl)methyl ester, (1R,3R)- is 283.16 g/mol.
Where can I buy Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (3-cyanophenyl)methyl ester, (1R,3R)-?
You can request a quote for Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (3-cyanophenyl)methyl ester, (1R,3R)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (3-cyanophenyl)methyl ester, (1R,3R)-?
Yes, KEHONG BIO provides custom synthesis services for Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (3-cyanophenyl)methyl ester, (1R,3R)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.