1-苯基环己烷-1-甲酸
TL;DR: 1-苯基环己烷-1-甲酸 (CAS 1135-67-7) is a chemical compound with molecular formula C13H16O2 and molecular weight 204.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-苯基环己烷-1-甲酸
1-phenylcyclohexane-1-carboxylic acid
Also Known As: 1-Phenylcyclohexanecarboxylic acid, 1-Phenylcyclohexane-1-carboxylic acid, 1-PHENYL-1-CYCLOHEXANECARBOXYLIC ACID, Cyclohexanecarboxylic acid, 1-phenyl-, 1-phenyl-cyclohexanecarboxylic acid
| Molecular Formula | C13H16O2 |
|---|---|
| Molecular Weight | 204.12 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.11504 |
| Heavy Atoms | 15 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 1135-67-7 |
|---|---|
| SMILES | C1CCC(CC1)(C2=CC=CC=C2)C(=O)O |
| InChIKey | QXXHHHWXFHPNOS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-苯基环己烷-1-甲酸 (CAS 1135-67-7), with molecular formula C13H16O2 and molecular weight 204.12 g/mol. IUPAC: 1-phenylcyclohexane-1-carboxylic acid.
Chemical Property Profile of 1-苯基环己烷-1-甲酸
Property Insights of 1-苯基环己烷-1-甲酸
The XLogP value of 3.4 indicates that 1-苯基环己烷-1-甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 1-苯基环己烷-1-甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-苯基环己烷-1-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 1-苯基环己烷-1-甲酸?
The CAS number of 1-苯基环己烷-1-甲酸 is 1135-67-7.
What is the molecular formula of 1-苯基环己烷-1-甲酸?
The molecular formula of 1-苯基环己烷-1-甲酸 is C13H16O2.
What is the molecular weight of 1-苯基环己烷-1-甲酸?
The molecular weight of 1-苯基环己烷-1-甲酸 is 204.12 g/mol.
Where can I buy 1-苯基环己烷-1-甲酸?
You can request a quote for 1-苯基环己烷-1-甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-苯基环己烷-1-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 1-苯基环己烷-1-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.