4-氯-2-甲基环己烷甲酸
TL;DR: 4-氯-2-甲基环己烷甲酸 (CAS 67990-02-7) is a chemical compound with molecular formula C8H13ClO2 and molecular weight 176.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氯-2-甲基环己烷甲酸
4-chloro-2-methylcyclohexane-1-carboxylic acid
Also Known As: 4-Chloro-2-methylcyclohexanecarboxylic acid, 4-Chloro-2-methylcyclohexane-1-carboxylic acid, Cyclohexanecarboxylic acid, 4-chloro-2-methyl-, cis-4-chloro-trans-2-methylcyclohexane-carboxylic acid, 268-026-7
| Molecular Formula | C8H13ClO2 |
|---|---|
| Molecular Weight | 176.06 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 | 176.06041 |
| Heavy Atoms | 11 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 67990-02-7 |
|---|---|
| SMILES | CC1CC(CCC1C(=O)O)Cl |
| InChIKey | AIANUUBCPQNGBO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氯-2-甲基环己烷甲酸 (CAS 67990-02-7), with molecular formula C8H13ClO2 and molecular weight 176.06 g/mol. IUPAC: 4-chloro-2-methylcyclohexane-1-carboxylic acid.
Chemical Property Profile of 4-氯-2-甲基环己烷甲酸
Property Insights of 4-氯-2-甲基环己烷甲酸
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氯-2-甲基环己烷甲酸. With a topological polar surface area (TPSA) of 37.3 Ų, 4-氯-2-甲基环己烷甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氯-2-甲基环己烷甲酸 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-氯-2-甲基环己烷甲酸?
The CAS number of 4-氯-2-甲基环己烷甲酸 is 67990-02-7.
What is the molecular formula of 4-氯-2-甲基环己烷甲酸?
The molecular formula of 4-氯-2-甲基环己烷甲酸 is C8H13ClO2.
What is the molecular weight of 4-氯-2-甲基环己烷甲酸?
The molecular weight of 4-氯-2-甲基环己烷甲酸 is 176.06 g/mol.
Where can I buy 4-氯-2-甲基环己烷甲酸?
You can request a quote for 4-氯-2-甲基环己烷甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氯-2-甲基环己烷甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4-氯-2-甲基环己烷甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.