N-(2-chloroacetyl)-3-oxobutanamide
TL;DR: N-(2-chloroacetyl)-3-oxobutanamide (CAS 82437-53-4) is a chemical compound with molecular formula C6H8ClNO3 and molecular weight 177.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloroacetyl)-3-oxobutanamide
Also Known As: N-(2-chloroacetyl)-3-oxobutanamide, 2-Methylglutaronitrile, N- -3-oxobutanamide, N-(Chloroacetyl)-3-oxobutanamide, Butanamide,N-(2-chloroacetyl)-3-oxo-
| Molecular Formula | C6H8ClNO3 |
|---|---|
| Molecular Weight | 177.02 g/mol |
| LogP | -0.1529 |
| Topological Polar Surface Area | 63.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 177.01927 |
| Heavy Atoms | 11 |
| Complexity | 190.26642 |
Chemical Identifiers
| CAS Number | 82437-53-4 |
|---|---|
| SMILES | CC(=O)CC(=O)NC(=O)CCl |
Product Overview
N-(2-chloroacetyl)-3-oxobutanamide (CAS 82437-53-4), with molecular formula C6H8ClNO3 and molecular weight 177.02 g/mol. IUPAC: N-(2-chloroacetyl)-3-oxobutanamide.
Chemical Property Profile of N-(2-chloroacetyl)-3-oxobutanamide
Property Insights of N-(2-chloroacetyl)-3-oxobutanamide
The XLogP value of -0.1529 indicates that N-(2-chloroacetyl)-3-oxobutanamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.24 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-chloroacetyl)-3-oxobutanamide. Following Lipinski's Rule of Five, N-(2-chloroacetyl)-3-oxobutanamide has 1 hydrogen bond donor(s) and 3 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 N-(2-chloroacetyl)-3-oxobutanamide?
The CAS number of N-(2-chloroacetyl)-3-oxobutanamide is 82437-53-4.
What is the molecular formula of N-(2-chloroacetyl)-3-oxobutanamide?
The molecular formula of N-(2-chloroacetyl)-3-oxobutanamide is C6H8ClNO3.
What is the molecular weight of N-(2-chloroacetyl)-3-oxobutanamide?
The molecular weight of N-(2-chloroacetyl)-3-oxobutanamide is 177.02 g/mol.
Where can I buy N-(2-chloroacetyl)-3-oxobutanamide?
You can request a quote for N-(2-chloroacetyl)-3-oxobutanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-chloroacetyl)-3-oxobutanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-chloroacetyl)-3-oxobutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.