Benzenepropanoic acid, cyclohexyl ester
TL;DR: Benzenepropanoic acid, cyclohexyl ester (CAS 22847-18-3) is a chemical compound with molecular formula C15H20O2 and molecular weight 232.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohexyl 3-phenylpropanoate
Also Known As: Cyclohexyl 3-phenylpropanoate, cyclohexyl-benzenepropanoate, Benzenepropanoic acid, cyclohexyl ester, cyclohexyl 3-phenylpropionate, Cyclohexyl-.beta.-phenylpropionate
| Molecular Formula | C15H20O2 |
|---|---|
| Molecular Weight | 232.15 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 232.14633 |
| Heavy Atoms | 17 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 22847-18-3 |
|---|---|
| SMILES | C1CCC(CC1)OC(=O)CCC2=CC=CC=C2 |
| InChIKey | VVJUKSKDOHGWJE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenepropanoic acid, cyclohexyl ester (CAS 22847-18-3), with molecular formula C15H20O2 and molecular weight 232.15 g/mol. IUPAC: cyclohexyl 3-phenylpropanoate.
Chemical Property Profile of Benzenepropanoic acid, cyclohexyl ester
Property Insights of Benzenepropanoic acid, cyclohexyl ester
The XLogP value of 3.8 indicates that Benzenepropanoic acid, cyclohexyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzenepropanoic acid, cyclohexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenepropanoic acid, cyclohexyl ester has 0 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 Benzenepropanoic acid, cyclohexyl ester?
The CAS number of Benzenepropanoic acid, cyclohexyl ester is 22847-18-3.
What is the molecular formula of Benzenepropanoic acid, cyclohexyl ester?
The molecular formula of Benzenepropanoic acid, cyclohexyl ester is C15H20O2.
What is the molecular weight of Benzenepropanoic acid, cyclohexyl ester?
The molecular weight of Benzenepropanoic acid, cyclohexyl ester is 232.15 g/mol.
Where can I buy Benzenepropanoic acid, cyclohexyl ester?
You can request a quote for Benzenepropanoic acid, cyclohexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenepropanoic acid, cyclohexyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenepropanoic acid, cyclohexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.