4-Methylcyclohex-1-ene-1-carboxylic acid
TL;DR: 4-Methylcyclohex-1-ene-1-carboxylic acid (CAS 58193-41-2) is a chemical compound with molecular formula C8H12O2 and molecular weight 140.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylcyclohexene-1-carboxylic acid
Also Known As: 4-methylcyclohex-1-ene-1-carboxylic acid, 4-methylcyclohexene-1-carboxylic acid, 4-methylcyclohex-1-enecarboxylic acid, 4-METHYL-1-CYCLOHEXENE-1-CARBOXYLIC ACID, 4-Methylcyclohexene-1-carboxylicacid
| Molecular Formula | C8H12O2 |
|---|---|
| Molecular Weight | 140.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 140.08372 |
| Heavy Atoms | 10 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 58193-41-2 |
|---|---|
| SMILES | CC1CCC(=CC1)C(=O)O |
| InChIKey | GEFNPBHICGXNLA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methylcyclohex-1-ene-1-carboxylic acid (CAS 58193-41-2), with molecular formula C8H12O2 and molecular weight 140.08 g/mol. IUPAC: 4-methylcyclohexene-1-carboxylic acid.
Chemical Property Profile of 4-Methylcyclohex-1-ene-1-carboxylic acid
Property Insights of 4-Methylcyclohex-1-ene-1-carboxylic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylcyclohex-1-ene-1-carboxylic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Methylcyclohex-1-ene-1-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylcyclohex-1-ene-1-carboxylic 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 4-Methylcyclohex-1-ene-1-carboxylic acid?
The CAS number of 4-Methylcyclohex-1-ene-1-carboxylic acid is 58193-41-2.
What is the molecular formula of 4-Methylcyclohex-1-ene-1-carboxylic acid?
The molecular formula of 4-Methylcyclohex-1-ene-1-carboxylic acid is C8H12O2.
What is the molecular weight of 4-Methylcyclohex-1-ene-1-carboxylic acid?
The molecular weight of 4-Methylcyclohex-1-ene-1-carboxylic acid is 140.08 g/mol.
Where can I buy 4-Methylcyclohex-1-ene-1-carboxylic acid?
You can request a quote for 4-Methylcyclohex-1-ene-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylcyclohex-1-ene-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylcyclohex-1-ene-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.