o-Chloroacetanilide
TL;DR: o-Chloroacetanilide (CAS 533-17-5) 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.
N-(2-chlorophenyl)acetamide
Also Known As: 2'-Chloroacetanilide, N-(2-Chlorophenyl)acetamide, O-CHLOROACETANILIDE, 2'-Chloro acetanilide, Acetamide, N-(2-chlorophenyl)-
| Molecular Formula | C8H8ClNO |
|---|---|
| Molecular Weight | 169.03 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.02943 |
| Heavy Atoms | 11 |
| Complexity | 149.0 |
| Melting Point | 88 °C |
| Solubility | PRACTICALLY INSOL IN WATER, ALKALIES; SOL IN ALCOHOL |
| Vapor Pressure | 0.0000963 [mmHg] |
| Refractive Index | (95% ETHANOL): 240 NM (LOG E= 4.02) |
Chemical Identifiers
| CAS Number | 533-17-5 |
|---|---|
| SMILES | CC(=O)NC1=CC=CC=C1Cl |
| InChIKey | KNVQTRVKSOEHPU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
o-Chloroacetanilide (CAS 533-17-5), with molecular formula C8H8ClNO and molecular weight 169.03 g/mol. IUPAC: N-(2-chlorophenyl)acetamide.
Chemical Property Profile of o-Chloroacetanilide
Property Insights of o-Chloroacetanilide
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-Chloroacetanilide. With a topological polar surface area (TPSA) of 29.1 Ų, o-Chloroacetanilide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-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 o-Chloroacetanilide?
The CAS number of o-Chloroacetanilide is 533-17-5.
What is the molecular formula of o-Chloroacetanilide?
The molecular formula of o-Chloroacetanilide is C8H8ClNO.
What is the molecular weight of o-Chloroacetanilide?
The molecular weight of o-Chloroacetanilide is 169.03 g/mol.
Where can I buy o-Chloroacetanilide?
You can request a quote for o-Chloroacetanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Chloroacetanilide?
Yes, KEHONG BIO provides custom synthesis services for o-Chloroacetanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.