5-氯-2-甲基环己烷甲酸
TL;DR: 5-氯-2-甲基环己烷甲酸 (CAS 67990-01-6) 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.
5-氯-2-甲基环己烷甲酸
5-chloro-2-methylcyclohexane-1-carboxylic acid
Also Known As: 5-Chloro-2-methylcyclohexanecarboxylic acid, 5-Chloro-2-methylcyclohexane-1-carboxylic acid, Cyclohexanecarboxylic acid, 5-chloro-2-methyl-, 5-chloro-2-methylcyclohexanecarboxylic, 5-chloro-2-methylcyclohexanecarboxylicacid
| 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 | 67990-01-6 |
|---|---|
| SMILES | CC1CCC(CC1C(=O)O)Cl |
| InChIKey | RSDARHRNBUATQI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-氯-2-甲基环己烷甲酸 (CAS 67990-01-6), with molecular formula C8H13ClO2 and molecular weight 176.06 g/mol. IUPAC: 5-chloro-2-methylcyclohexane-1-carboxylic acid.
Chemical Property Profile of 5-氯-2-甲基环己烷甲酸
Property Insights of 5-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 5-氯-2-甲基环己烷甲酸. With a topological polar surface area (TPSA) of 37.3 Ų, 5-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, 5-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 5-氯-2-甲基环己烷甲酸?
The CAS number of 5-氯-2-甲基环己烷甲酸 is 67990-01-6.
What is the molecular formula of 5-氯-2-甲基环己烷甲酸?
The molecular formula of 5-氯-2-甲基环己烷甲酸 is C8H13ClO2.
What is the molecular weight of 5-氯-2-甲基环己烷甲酸?
The molecular weight of 5-氯-2-甲基环己烷甲酸 is 176.06 g/mol.
Where can I buy 5-氯-2-甲基环己烷甲酸?
You can request a quote for 5-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 5-氯-2-甲基环己烷甲酸?
Yes, KEHONG BIO provides custom synthesis services for 5-氯-2-甲基环己烷甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.