Cyclohexanecarboxylic acid, 1-butyl-, methyl ester
TL;DR: Cyclohexanecarboxylic acid, 1-butyl-, methyl ester (CAS 7362-81-4) is a chemical compound with molecular formula C12H22O2 and molecular weight 198.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-butylcyclohexane-1-carboxylate
Also Known As: methyl 1-butylcyclohexane-1-carboxylate, Cyclohexanecarboxylic acid, 1-butyl-, methyl ester, 1-Butylcyclohexanecarboxylic acid methyl ester, Methyl 1-butylcyclohexanecarboxylate #, 1-Butylcyclohexanecarboxylicacidmethylester
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 198.16199 |
| Heavy Atoms | 14 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 7362-81-4 |
|---|---|
| SMILES | CCCCC1(CCCCC1)C(=O)OC |
| InChIKey | HFYNTJSQXRBKTO-UHFFFAOYSA-N |
Product Overview
Cyclohexanecarboxylic acid, 1-butyl-, methyl ester (CAS 7362-81-4), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: methyl 1-butylcyclohexane-1-carboxylate.
Chemical Property Profile of Cyclohexanecarboxylic acid, 1-butyl-, methyl ester
Property Insights of Cyclohexanecarboxylic acid, 1-butyl-, methyl ester
The XLogP value of 4.0 indicates that Cyclohexanecarboxylic acid, 1-butyl-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Cyclohexanecarboxylic acid, 1-butyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanecarboxylic acid, 1-butyl-, 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-butyl-, methyl ester?
The CAS number of Cyclohexanecarboxylic acid, 1-butyl-, methyl ester is 7362-81-4.
What is the molecular formula of Cyclohexanecarboxylic acid, 1-butyl-, methyl ester?
The molecular formula of Cyclohexanecarboxylic acid, 1-butyl-, methyl ester is C12H22O2.
What is the molecular weight of Cyclohexanecarboxylic acid, 1-butyl-, methyl ester?
The molecular weight of Cyclohexanecarboxylic acid, 1-butyl-, methyl ester is 198.16 g/mol.
Where can I buy Cyclohexanecarboxylic acid, 1-butyl-, methyl ester?
You can request a quote for Cyclohexanecarboxylic acid, 1-butyl-, 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-butyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanecarboxylic acid, 1-butyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.