cis-4-Chlorocinnamic acid
TL;DR: cis-4-Chlorocinnamic acid (CAS 5676-62-0) is a chemical compound with molecular formula C9H7ClO2 and molecular weight 182.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(4-chlorophenyl)prop-2-enoic acid
Also Known As: cis-4-Chlorocinnamic acid, z-4-chlorocinnamic acid, 4-Chloroallocinnamic acid, cis-p-Chlorocinnamic acid, (Z)-p-Chlorocinnamic acid
| Molecular Formula | C9H7ClO2 |
|---|---|
| Molecular Weight | 182.01 g/mol |
| LogP | 2.4378 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.01346 |
| Heavy Atoms | 12 |
| Complexity | 300.8095 |
Chemical Identifiers
| CAS Number | 5676-62-0 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C\C(=O)O)Cl |
Product Overview
cis-4-Chlorocinnamic acid (CAS 5676-62-0), with molecular formula C9H7ClO2 and molecular weight 182.01 g/mol. IUPAC: (Z)-3-(4-chlorophenyl)prop-2-enoic acid.
Chemical Property Profile of cis-4-Chlorocinnamic acid
Property Insights of cis-4-Chlorocinnamic acid
The XLogP value of 2.4378 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cis-4-Chlorocinnamic acid. With a topological polar surface area (TPSA) of 37.3 Ų, cis-4-Chlorocinnamic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cis-4-Chlorocinnamic acid has 1 hydrogen bond donor(s) and 1 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 cis-4-Chlorocinnamic acid?
The CAS number of cis-4-Chlorocinnamic acid is 5676-62-0.
What is the molecular formula of cis-4-Chlorocinnamic acid?
The molecular formula of cis-4-Chlorocinnamic acid is C9H7ClO2.
What is the molecular weight of cis-4-Chlorocinnamic acid?
The molecular weight of cis-4-Chlorocinnamic acid is 182.01 g/mol.
Where can I buy cis-4-Chlorocinnamic acid?
You can request a quote for cis-4-Chlorocinnamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis-4-Chlorocinnamic acid?
Yes, KEHONG BIO provides custom synthesis services for cis-4-Chlorocinnamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.