4-Cyclohexyloxybenzoic acid
TL;DR: 4-Cyclohexyloxybenzoic acid (CAS 139-61-7) is a chemical compound with molecular formula C13H16O3 and molecular weight 220.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-cyclohexyloxybenzoic acid
Also Known As: 4-(cyclohexyloxy)benzoic acid, 4-Cyclohexyloxybenzoic acid, P-CYCLOHEXYLOXYBENZOIC ACID, 4-Phenoxybenzoic acid, 4-(Cyclohexyloxy)-benzoic acid
| Molecular Formula | C13H16O3 |
|---|---|
| Molecular Weight | 220.11 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.10994 |
| Heavy Atoms | 16 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 139-61-7 |
|---|---|
| SMILES | C1CCC(CC1)OC2=CC=C(C=C2)C(=O)O |
| InChIKey | OTPHEAKUEAICPM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Cyclohexyloxybenzoic acid (CAS 139-61-7), with molecular formula C13H16O3 and molecular weight 220.11 g/mol. IUPAC: 4-cyclohexyloxybenzoic acid.
Chemical Property Profile of 4-Cyclohexyloxybenzoic acid
Property Insights of 4-Cyclohexyloxybenzoic acid
The XLogP value of 3.2 indicates that 4-Cyclohexyloxybenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 4-Cyclohexyloxybenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Cyclohexyloxybenzoic acid has 1 hydrogen bond donor(s) and 3 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-Cyclohexyloxybenzoic acid?
The CAS number of 4-Cyclohexyloxybenzoic acid is 139-61-7.
What is the molecular formula of 4-Cyclohexyloxybenzoic acid?
The molecular formula of 4-Cyclohexyloxybenzoic acid is C13H16O3.
What is the molecular weight of 4-Cyclohexyloxybenzoic acid?
The molecular weight of 4-Cyclohexyloxybenzoic acid is 220.11 g/mol.
Where can I buy 4-Cyclohexyloxybenzoic acid?
You can request a quote for 4-Cyclohexyloxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyclohexyloxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyclohexyloxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.