Cyclohexanecarboxylic acid, 4-methyl-, methyl ester
TL;DR: Cyclohexanecarboxylic acid, 4-methyl-, methyl ester (CAS 29886-34-8) is a chemical compound with molecular formula C9H16O2 and molecular weight 156.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-methylcyclohexane-1-carboxylate
Also Known As: Methyl 4-methylcyclohexanecarboxylate, MMCHC, Cyclohexanecarboxylic acid, 4-methyl-, methyl ester, methyl 4-methylcyclohexane-1-carboxylate, 4-Methylcyclohexanecarboxylic acid methyl ester
| Molecular Formula | C9H16O2 |
|---|---|
| Molecular Weight | 156.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 156.11504 |
| Heavy Atoms | 11 |
| Complexity | 134.0 |
Chemical Identifiers
| CAS Number | 29886-34-8 |
|---|---|
| SMILES | CC1CCC(CC1)C(=O)OC |
| InChIKey | QJMSVBUMBNELCF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexanecarboxylic acid, 4-methyl-, methyl ester (CAS 29886-34-8), with molecular formula C9H16O2 and molecular weight 156.12 g/mol. IUPAC: methyl 4-methylcyclohexane-1-carboxylate.
Chemical Property Profile of Cyclohexanecarboxylic acid, 4-methyl-, methyl ester
Property Insights of Cyclohexanecarboxylic acid, 4-methyl-, methyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexanecarboxylic acid, 4-methyl-, methyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Cyclohexanecarboxylic acid, 4-methyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanecarboxylic acid, 4-methyl-, 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, 4-methyl-, methyl ester?
The CAS number of Cyclohexanecarboxylic acid, 4-methyl-, methyl ester is 29886-34-8.
What is the molecular formula of Cyclohexanecarboxylic acid, 4-methyl-, methyl ester?
The molecular formula of Cyclohexanecarboxylic acid, 4-methyl-, methyl ester is C9H16O2.
What is the molecular weight of Cyclohexanecarboxylic acid, 4-methyl-, methyl ester?
The molecular weight of Cyclohexanecarboxylic acid, 4-methyl-, methyl ester is 156.12 g/mol.
Where can I buy Cyclohexanecarboxylic acid, 4-methyl-, methyl ester?
You can request a quote for Cyclohexanecarboxylic acid, 4-methyl-, 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, 4-methyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanecarboxylic acid, 4-methyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.