Chlorophenyl acrylate
TL;DR: Chlorophenyl acrylate (CAS 4513-41-1) 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.
(2-chlorophenyl) prop-2-enoate
Also Known As: chlorophenyl acrylate, 2-chlorophenyl acrylate, 2-chlorophenyl prop-2-enoate, (2-chlorophenyl) Prop-2-enoate, Acrylic acid 2-chlorophenyl ester
| Molecular Formula | C9H7ClO2 |
|---|---|
| Molecular Weight | 182.01 g/mol |
| LogP | 2.4314 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.01346 |
| Heavy Atoms | 12 |
| Complexity | 307.15176 |
Chemical Identifiers
| CAS Number | 4513-41-1 |
|---|---|
| SMILES | C=CC(=O)OC1=CC=CC=C1Cl |
Product Overview
Chlorophenyl acrylate (CAS 4513-41-1), with molecular formula C9H7ClO2 and molecular weight 182.01 g/mol. IUPAC: (2-chlorophenyl) prop-2-enoate.
Chemical Property Profile of Chlorophenyl acrylate
Property Insights of Chlorophenyl acrylate
The XLogP value of 2.4314 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chlorophenyl acrylate. With a topological polar surface area (TPSA) of 26.3 Ų, Chlorophenyl acrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chlorophenyl acrylate 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 Chlorophenyl acrylate?
The CAS number of Chlorophenyl acrylate is 4513-41-1.
What is the molecular formula of Chlorophenyl acrylate?
The molecular formula of Chlorophenyl acrylate is C9H7ClO2.
What is the molecular weight of Chlorophenyl acrylate?
The molecular weight of Chlorophenyl acrylate is 182.01 g/mol.
Where can I buy Chlorophenyl acrylate?
You can request a quote for Chlorophenyl acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlorophenyl acrylate?
Yes, KEHONG BIO provides custom synthesis services for Chlorophenyl acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.