1-Ethylcyclohexane-1-carboxylic acid
TL;DR: 1-Ethylcyclohexane-1-carboxylic acid (CAS 1124-98-7) 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.
1-ethylcyclohexane-1-carboxylic acid
Also Known As: 1-ethylcyclohexane-1-carboxylic acid, 1-Ethylcyclohexanecarboxylic acid, ethylcyclohexane carboxylic, 1-ethylcyclohexane-1-carboxylicacid, 1-Ethylcyclohexanecarboxylic acid #
| Molecular Formula | C9H16O2 |
|---|---|
| Molecular Weight | 156.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 156.11504 |
| Heavy Atoms | 11 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 1124-98-7 |
|---|---|
| SMILES | CCC1(CCCCC1)C(=O)O |
| InChIKey | QRRSHRVKVLSFQS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Ethylcyclohexane-1-carboxylic acid (CAS 1124-98-7), with molecular formula C9H16O2 and molecular weight 156.12 g/mol. IUPAC: 1-ethylcyclohexane-1-carboxylic acid.
Chemical Property Profile of 1-Ethylcyclohexane-1-carboxylic acid
Property Insights of 1-Ethylcyclohexane-1-carboxylic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethylcyclohexane-1-carboxylic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 1-Ethylcyclohexane-1-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethylcyclohexane-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 1-Ethylcyclohexane-1-carboxylic acid?
The CAS number of 1-Ethylcyclohexane-1-carboxylic acid is 1124-98-7.
What is the molecular formula of 1-Ethylcyclohexane-1-carboxylic acid?
The molecular formula of 1-Ethylcyclohexane-1-carboxylic acid is C9H16O2.
What is the molecular weight of 1-Ethylcyclohexane-1-carboxylic acid?
The molecular weight of 1-Ethylcyclohexane-1-carboxylic acid is 156.12 g/mol.
Where can I buy 1-Ethylcyclohexane-1-carboxylic acid?
You can request a quote for 1-Ethylcyclohexane-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 1-Ethylcyclohexane-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethylcyclohexane-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.