Chloroacetanilide
TL;DR: Chloroacetanilide (CAS 587-65-5) is a chemical compound with molecular formula C8H8ClNO and molecular weight 169.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-phenylacetamide
Also Known As: 2-Chloroacetanilide, 2-CHLORO-N-PHENYLACETAMIDE, Chloroacetanilide, N-Phenylchloroacetamide, Acetanilide, 2-chloro-
| Molecular Formula | C8H8ClNO |
|---|---|
| Molecular Weight | 169.03 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 169.02943 |
| Heavy Atoms | 11 |
| Complexity | 132.0 |
| Melting Point | 86-88 °C |
| Solubility | Practically insoluble |
| Vapor Pressure | 0.0000433 [mmHg] |
Chemical Identifiers
| CAS Number | 587-65-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)CCl |
| InChIKey | VONWPEXRCLHKRJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chloroacetanilide (CAS 587-65-5), with molecular formula C8H8ClNO and molecular weight 169.03 g/mol. IUPAC: 2-chloro-N-phenylacetamide.
Chemical Property Profile of Chloroacetanilide
Property Insights of Chloroacetanilide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chloroacetanilide. With a topological polar surface area (TPSA) of 29.1 Ų, Chloroacetanilide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloroacetanilide 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 Chloroacetanilide?
The CAS number of Chloroacetanilide is 587-65-5.
What is the molecular formula of Chloroacetanilide?
The molecular formula of Chloroacetanilide is C8H8ClNO.
What is the molecular weight of Chloroacetanilide?
The molecular weight of Chloroacetanilide is 169.03 g/mol.
Where can I buy Chloroacetanilide?
You can request a quote for Chloroacetanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloroacetanilide?
Yes, KEHONG BIO provides custom synthesis services for Chloroacetanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.