Acetoacetyl-2-chloroanilide
TL;DR: Acetoacetyl-2-chloroanilide (CAS 93-70-9) 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-(2-chlorophenyl)-3-oxobutanamide
Also Known As: 2'-Chloroacetoacetanilide, AAoC, N-(2-Chlorophenyl)-3-oxobutanamide, o-Chloroacetoacetanilide, Acetoacet-o-chloroanilide
| Molecular Formula | C10H10ClNO2 |
|---|---|
| Molecular Weight | 211.04 g/mol |
| LogP | 1.7 |
| 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 | 230.0 |
Chemical Identifiers
| CAS Number | 93-70-9 |
|---|---|
| SMILES | CC(=O)CC(=O)NC1=CC=CC=C1Cl |
| InChIKey | BFVHBHKMLIBQNN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetoacetyl-2-chloroanilide (CAS 93-70-9), with molecular formula C10H10ClNO2 and molecular weight 211.04 g/mol. IUPAC: N-(2-chlorophenyl)-3-oxobutanamide.
Chemical Property Profile of Acetoacetyl-2-chloroanilide
Property Insights of Acetoacetyl-2-chloroanilide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetoacetyl-2-chloroanilide. With a topological polar surface area (TPSA) of 46.2 Ų, Acetoacetyl-2-chloroanilide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetoacetyl-2-chloroanilide 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 Acetoacetyl-2-chloroanilide?
The CAS number of Acetoacetyl-2-chloroanilide is 93-70-9.
What is the molecular formula of Acetoacetyl-2-chloroanilide?
The molecular formula of Acetoacetyl-2-chloroanilide is C10H10ClNO2.
What is the molecular weight of Acetoacetyl-2-chloroanilide?
The molecular weight of Acetoacetyl-2-chloroanilide is 211.04 g/mol.
Where can I buy Acetoacetyl-2-chloroanilide?
You can request a quote for Acetoacetyl-2-chloroanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetoacetyl-2-chloroanilide?
Yes, KEHONG BIO provides custom synthesis services for Acetoacetyl-2-chloroanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.