Cyclohexanecarboxylic acid, 1-ethyl-, methyl ester
TL;DR: Cyclohexanecarboxylic acid, 1-ethyl-, methyl ester (CAS 4630-81-3) is a chemical compound with molecular formula C10H18O2 and molecular weight 170.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-ethylcyclohexane-1-carboxylate
Also Known As: methyl 1-ethylcyclohexane-1-carboxylate, Methyl 1-ethyl-1-cyclohexanecarboxylate, Cyclohexanecarboxylic acid, 1-ethyl-, methyl ester, Methyl 1-ethylcyclohexanecarboxylate, 1-ethyl-1-methoxycarbonylcyclohexane
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 4630-81-3 |
|---|---|
| SMILES | CCC1(CCCCC1)C(=O)OC |
| InChIKey | JPAPFFYGFBXJAK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexanecarboxylic acid, 1-ethyl-, methyl ester (CAS 4630-81-3), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: methyl 1-ethylcyclohexane-1-carboxylate.
Chemical Property Profile of Cyclohexanecarboxylic acid, 1-ethyl-, methyl ester
Property Insights of Cyclohexanecarboxylic acid, 1-ethyl-, methyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexanecarboxylic acid, 1-ethyl-, methyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Cyclohexanecarboxylic acid, 1-ethyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanecarboxylic acid, 1-ethyl-, 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 Cyclohexanecarboxylic acid, 1-ethyl-, methyl ester?
The CAS number of Cyclohexanecarboxylic acid, 1-ethyl-, methyl ester is 4630-81-3.
What is the molecular formula of Cyclohexanecarboxylic acid, 1-ethyl-, methyl ester?
The molecular formula of Cyclohexanecarboxylic acid, 1-ethyl-, methyl ester is C10H18O2.
What is the molecular weight of Cyclohexanecarboxylic acid, 1-ethyl-, methyl ester?
The molecular weight of Cyclohexanecarboxylic acid, 1-ethyl-, methyl ester is 170.13 g/mol.
Where can I buy Cyclohexanecarboxylic acid, 1-ethyl-, methyl ester?
You can request a quote for Cyclohexanecarboxylic acid, 1-ethyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexanecarboxylic acid, 1-ethyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanecarboxylic acid, 1-ethyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.