alphaPhenyl-2-chlorocinnamic acid
TL;DR: alphaPhenyl-2-chlorocinnamic acid (CAS 728-50-7) is a chemical compound with molecular formula C15H11ClO2 and molecular weight 258.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chlorophenyl)-2-phenylprop-2-enoic acid
Also Known As: alphaPhenyl-2-chlorocinnamic acid, 3-(2-Chlorophenyl)-2-phenylacrylic acid, 3-(2-chlorophenyl)-2-phenylprop-2-enoic acid, (E)-3-(2-chlorophenyl)-2-phenylacrylic acid, 3-(2-chlorophenyl)-2-phenyl-prop-2-enoic acid
| Molecular Formula | C15H11ClO2 |
|---|---|
| Molecular Weight | 258.04 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.04477 |
| Heavy Atoms | 18 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 728-50-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=CC2=CC=CC=C2Cl)C(=O)O |
| InChIKey | XRUILMSWZHTDSO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alphaPhenyl-2-chlorocinnamic acid (CAS 728-50-7), with molecular formula C15H11ClO2 and molecular weight 258.04 g/mol. IUPAC: 3-(2-chlorophenyl)-2-phenylprop-2-enoic acid.
Chemical Property Profile of alphaPhenyl-2-chlorocinnamic acid
Property Insights of alphaPhenyl-2-chlorocinnamic acid
The XLogP value of 4.1 indicates that alphaPhenyl-2-chlorocinnamic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, alphaPhenyl-2-chlorocinnamic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alphaPhenyl-2-chlorocinnamic acid 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 alphaPhenyl-2-chlorocinnamic acid?
The CAS number of alphaPhenyl-2-chlorocinnamic acid is 728-50-7.
What is the molecular formula of alphaPhenyl-2-chlorocinnamic acid?
The molecular formula of alphaPhenyl-2-chlorocinnamic acid is C15H11ClO2.
What is the molecular weight of alphaPhenyl-2-chlorocinnamic acid?
The molecular weight of alphaPhenyl-2-chlorocinnamic acid is 258.04 g/mol.
Where can I buy alphaPhenyl-2-chlorocinnamic acid?
You can request a quote for alphaPhenyl-2-chlorocinnamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alphaPhenyl-2-chlorocinnamic acid?
Yes, KEHONG BIO provides custom synthesis services for alphaPhenyl-2-chlorocinnamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.