Phenyl chloroacetate
TL;DR: Phenyl chloroacetate (CAS 620-73-5) is a chemical compound with molecular formula C8H7ClO2 and molecular weight 170.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 2-chloroacetate
Also Known As: phenyl 2-chloroacetate, PHENYL CHLOROACETATE, Acetic acid, chloro-, phenyl ester, Phenyl2-chloroacetate, 4-chloroacetoxybenzene
| Molecular Formula | C8H7ClO2 |
|---|---|
| Molecular Weight | 170.01 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.01346 |
| Heavy Atoms | 11 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 620-73-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)CCl |
| InChIKey | AGUWUIVKDXDKBT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl chloroacetate (CAS 620-73-5), with molecular formula C8H7ClO2 and molecular weight 170.01 g/mol. IUPAC: phenyl 2-chloroacetate.
Chemical Property Profile of Phenyl chloroacetate
Property Insights of Phenyl chloroacetate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl chloroacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Phenyl chloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl chloroacetate 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 Phenyl chloroacetate?
The CAS number of Phenyl chloroacetate is 620-73-5.
What is the molecular formula of Phenyl chloroacetate?
The molecular formula of Phenyl chloroacetate is C8H7ClO2.
What is the molecular weight of Phenyl chloroacetate?
The molecular weight of Phenyl chloroacetate is 170.01 g/mol.
Where can I buy Phenyl chloroacetate?
You can request a quote for Phenyl chloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl chloroacetate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.