1-Methyl-1,2-cyclohexanedicarboxylic acid
TL;DR: 1-Methyl-1,2-cyclohexanedicarboxylic acid (CAS 13185-53-0) is a chemical compound with molecular formula C9H14O4 and molecular weight 186.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylcyclohexane-1,2-dicarboxylic acid
Also Known As: 1-Methylcyclohexane-1,2-dicarboxylic acid, Methylhexahydrophthalic acid, methyl-hexahydrophthalic acid, (methyl)hexahydrophthalic acid, 1-Methyl-1,2-cyclohexanedicarboxylic acid
| Molecular Formula | C9H14O4 |
|---|---|
| Molecular Weight | 186.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.0892 |
| Heavy Atoms | 13 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 13185-53-0 |
|---|---|
| SMILES | CC1(CCCCC1C(=O)O)C(=O)O |
| InChIKey | PMUPSYZVABJEKC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methyl-1,2-cyclohexanedicarboxylic acid (CAS 13185-53-0), with molecular formula C9H14O4 and molecular weight 186.09 g/mol. IUPAC: 1-methylcyclohexane-1,2-dicarboxylic acid.
Chemical Property Profile of 1-Methyl-1,2-cyclohexanedicarboxylic acid
Property Insights of 1-Methyl-1,2-cyclohexanedicarboxylic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-1,2-cyclohexanedicarboxylic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-1,2-cyclohexanedicarboxylic acid. Following Lipinski's Rule of Five, 1-Methyl-1,2-cyclohexanedicarboxylic acid has 2 hydrogen bond donor(s) and 4 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 1-Methyl-1,2-cyclohexanedicarboxylic acid?
The CAS number of 1-Methyl-1,2-cyclohexanedicarboxylic acid is 13185-53-0.
What is the molecular formula of 1-Methyl-1,2-cyclohexanedicarboxylic acid?
The molecular formula of 1-Methyl-1,2-cyclohexanedicarboxylic acid is C9H14O4.
What is the molecular weight of 1-Methyl-1,2-cyclohexanedicarboxylic acid?
The molecular weight of 1-Methyl-1,2-cyclohexanedicarboxylic acid is 186.09 g/mol.
Where can I buy 1-Methyl-1,2-cyclohexanedicarboxylic acid?
You can request a quote for 1-Methyl-1,2-cyclohexanedicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-1,2-cyclohexanedicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-1,2-cyclohexanedicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.