3-Methylcyclohexanecarboxylic acid
TL;DR: 3-Methylcyclohexanecarboxylic acid (CAS 13293-59-9) is a chemical compound with molecular formula C8H14O2 and molecular weight 142.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylcyclohexane-1-carboxylic acid
Also Known As: 3-Methylcyclohexanecarboxylic acid, 3-Methylcyclohexane-1-carboxylic acid, 3-Methyl-1-Cyclohexanecarboxylic Acid, Hexahydro-m-toluylsaure, pyridazine-3-carbonitrile
| Molecular Formula | C8H14O2 |
|---|---|
| Molecular Weight | 142.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 142.09938 |
| Heavy Atoms | 10 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 13293-59-9 |
|---|---|
| SMILES | CC1CCCC(C1)C(=O)O |
| InChIKey | CIFSKZDQGRCLBN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methylcyclohexanecarboxylic acid (CAS 13293-59-9), with molecular formula C8H14O2 and molecular weight 142.10 g/mol. IUPAC: 3-methylcyclohexane-1-carboxylic acid.
Chemical Property Profile of 3-Methylcyclohexanecarboxylic acid
Property Insights of 3-Methylcyclohexanecarboxylic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylcyclohexanecarboxylic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Methylcyclohexanecarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylcyclohexanecarboxylic acid has 1 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-Methylcyclohexanecarboxylic acid?
The CAS number of 3-Methylcyclohexanecarboxylic acid is 13293-59-9.
What is the molecular formula of 3-Methylcyclohexanecarboxylic acid?
The molecular formula of 3-Methylcyclohexanecarboxylic acid is C8H14O2.
What is the molecular weight of 3-Methylcyclohexanecarboxylic acid?
The molecular weight of 3-Methylcyclohexanecarboxylic acid is 142.10 g/mol.
Where can I buy 3-Methylcyclohexanecarboxylic acid?
You can request a quote for 3-Methylcyclohexanecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylcyclohexanecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylcyclohexanecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.