4'-Chloroacetyl(acetanilide)
TL;DR: 4'-Chloroacetyl(acetanilide) (CAS 140-49-8) is a chemical compound with molecular formula C10H10ClNO2 and molecular weight 211.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(2-chloroacetyl)phenyl]acetamide
Also Known As: 4'-(Chloroacetyl)acetanilide, p-Acetamidophenacyl chloride, 4-(Chloroacetyl)acetanilide, 4-Chloroacetylacetanilide, 1-Acetamido-4-chloroacetylbenzene
| Molecular Formula | C10H10ClNO2 |
|---|---|
| Molecular Weight | 211.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.04001 |
| Heavy Atoms | 14 |
| Complexity | 222.0 |
| Melting Point | 410.7 to 212.4 °C |
| Boiling Point | Decomposes |
| Density | 1.348 |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
| Flash Point | 110.0 °C |
| Vapor Pressure | less than 0.011 mmHg at 20.0 °C |
Chemical Identifiers
| CAS Number | 140-49-8 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)C(=O)CCl |
| InChIKey | VMMDOCYDNRLESP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4'-Chloroacetyl(acetanilide) (CAS 140-49-8), with molecular formula C10H10ClNO2 and molecular weight 211.04 g/mol. IUPAC: N-[4-(2-chloroacetyl)phenyl]acetamide.
Chemical Property Profile of 4'-Chloroacetyl(acetanilide)
Property Insights of 4'-Chloroacetyl(acetanilide)
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Chloroacetyl(acetanilide). With a topological polar surface area (TPSA) of 46.2 Ų, 4'-Chloroacetyl(acetanilide) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-Chloroacetyl(acetanilide) has 1 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 4'-Chloroacetyl(acetanilide)?
The CAS number of 4'-Chloroacetyl(acetanilide) is 140-49-8.
What is the molecular formula of 4'-Chloroacetyl(acetanilide)?
The molecular formula of 4'-Chloroacetyl(acetanilide) is C10H10ClNO2.
What is the molecular weight of 4'-Chloroacetyl(acetanilide)?
The molecular weight of 4'-Chloroacetyl(acetanilide) is 211.04 g/mol.
Where can I buy 4'-Chloroacetyl(acetanilide)?
You can request a quote for 4'-Chloroacetyl(acetanilide) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Chloroacetyl(acetanilide)?
Yes, KEHONG BIO provides custom synthesis services for 4'-Chloroacetyl(acetanilide) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.