3-Cyclohexene-1-carboxylic acid, methyl ester
TL;DR: 3-Cyclohexene-1-carboxylic acid, methyl ester (CAS 6493-77-2) is a chemical compound with molecular formula C8H12O2 and molecular weight 140.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl cyclohex-3-ene-1-carboxylate
Also Known As: Methyl cyclohex-3-enecarboxylate, methyl cyclohex-3-ene-1-carboxylate, 3-Cyclohexene-1-carboxylic Acid Methyl Ester, 3-Cyclohexene-1-carboxylic acid, methyl ester, Methyl 3-cyclohexene-1-carboxylate
| Molecular Formula | C8H12O2 |
|---|---|
| Molecular Weight | 140.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 140.08372 |
| Heavy Atoms | 10 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 6493-77-2 |
|---|---|
| SMILES | COC(=O)C1CCC=CC1 |
| InChIKey | IPUNVLFESXFVFH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Cyclohexene-1-carboxylic acid, methyl ester (CAS 6493-77-2), with molecular formula C8H12O2 and molecular weight 140.08 g/mol. IUPAC: methyl cyclohex-3-ene-1-carboxylate.
Chemical Property Profile of 3-Cyclohexene-1-carboxylic acid, methyl ester
Property Insights of 3-Cyclohexene-1-carboxylic acid, methyl ester
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Cyclohexene-1-carboxylic acid, methyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Cyclohexene-1-carboxylic acid, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Cyclohexene-1-carboxylic acid, methyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Cyclohexene-1-carboxylic acid, methyl ester?
The CAS number of 3-Cyclohexene-1-carboxylic acid, methyl ester is 6493-77-2.
What is the molecular formula of 3-Cyclohexene-1-carboxylic acid, methyl ester?
The molecular formula of 3-Cyclohexene-1-carboxylic acid, methyl ester is C8H12O2.
What is the molecular weight of 3-Cyclohexene-1-carboxylic acid, methyl ester?
The molecular weight of 3-Cyclohexene-1-carboxylic acid, methyl ester is 140.08 g/mol.
Where can I buy 3-Cyclohexene-1-carboxylic acid, methyl ester?
You can request a quote for 3-Cyclohexene-1-carboxylic acid, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyclohexene-1-carboxylic acid, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyclohexene-1-carboxylic acid, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.