4-chloro-N-(2-chlorophenyl)-3-oxobutyramide
TL;DR: 4-chloro-N-(2-chlorophenyl)-3-oxobutyramide (CAS 39082-01-4) is a chemical compound with molecular formula C10H9Cl2NO2 and molecular weight 245.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-(2-chlorophenyl)-3-oxobutanamide
Also Known As: 2',4-Dichloroacetoacetanilide, EINECS 254-278-5, 4-Chloro-N-(2-chlorophenyl)-3-oxobutanamide, 4-Chloro-N-(2-chlorophenyl)-3-oxobutyramide, 4-Chloro-N-(2-chlorophenyl)-3-oxobutanamide #
| Molecular Formula | C10H9Cl2NO2 |
|---|---|
| Molecular Weight | 245.00 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.00104 |
| Heavy Atoms | 15 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 39082-01-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC(=O)CC(=O)CCl)Cl |
| InChIKey | OMZUSMXJSPFYOY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-chloro-N-(2-chlorophenyl)-3-oxobutyramide (CAS 39082-01-4), with molecular formula C10H9Cl2NO2 and molecular weight 245.00 g/mol. IUPAC: 4-chloro-N-(2-chlorophenyl)-3-oxobutanamide.
Chemical Property Profile of 4-chloro-N-(2-chlorophenyl)-3-oxobutyramide
Property Insights of 4-chloro-N-(2-chlorophenyl)-3-oxobutyramide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-N-(2-chlorophenyl)-3-oxobutyramide. With a topological polar surface area (TPSA) of 46.2 Ų, 4-chloro-N-(2-chlorophenyl)-3-oxobutyramide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-N-(2-chlorophenyl)-3-oxobutyramide 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-chloro-N-(2-chlorophenyl)-3-oxobutyramide?
The CAS number of 4-chloro-N-(2-chlorophenyl)-3-oxobutyramide is 39082-01-4.
What is the molecular formula of 4-chloro-N-(2-chlorophenyl)-3-oxobutyramide?
The molecular formula of 4-chloro-N-(2-chlorophenyl)-3-oxobutyramide is C10H9Cl2NO2.
What is the molecular weight of 4-chloro-N-(2-chlorophenyl)-3-oxobutyramide?
The molecular weight of 4-chloro-N-(2-chlorophenyl)-3-oxobutyramide is 245.00 g/mol.
Where can I buy 4-chloro-N-(2-chlorophenyl)-3-oxobutyramide?
You can request a quote for 4-chloro-N-(2-chlorophenyl)-3-oxobutyramide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-N-(2-chlorophenyl)-3-oxobutyramide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-(2-chlorophenyl)-3-oxobutyramide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.