4-Chloroacetoacetamide
TL;DR: 4-Chloroacetoacetamide (CAS 39082-04-7) is a chemical compound with molecular formula C4H6ClNO2 and molecular weight 135.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-oxobutanamide
Also Known As: 4-Chloroacetoacetamide, 4-chloro-3-oxobutanamide, chloroacetoacetamide, 4-chloroacetoaceticacid amide, EINECS 254-279-0
| Molecular Formula | C4H6ClNO2 |
|---|---|
| Molecular Weight | 135.01 g/mol |
| LogP | -0.3303 |
| Topological Polar Surface Area | 60.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 135.00871 |
| Heavy Atoms | 8 |
| Complexity | 112.605934 |
Chemical Identifiers
| CAS Number | 39082-04-7 |
|---|---|
| SMILES | C(C(=O)CCl)C(=O)N |
Product Overview
4-Chloroacetoacetamide (CAS 39082-04-7), with molecular formula C4H6ClNO2 and molecular weight 135.01 g/mol. IUPAC: 4-chloro-3-oxobutanamide.
Chemical Property Profile of 4-Chloroacetoacetamide
Property Insights of 4-Chloroacetoacetamide
The XLogP value of -0.3303 indicates that 4-Chloroacetoacetamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloroacetoacetamide. Following Lipinski's Rule of Five, 4-Chloroacetoacetamide 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-Chloroacetoacetamide?
The CAS number of 4-Chloroacetoacetamide is 39082-04-7.
What is the molecular formula of 4-Chloroacetoacetamide?
The molecular formula of 4-Chloroacetoacetamide is C4H6ClNO2.
What is the molecular weight of 4-Chloroacetoacetamide?
The molecular weight of 4-Chloroacetoacetamide is 135.01 g/mol.
Where can I buy 4-Chloroacetoacetamide?
You can request a quote for 4-Chloroacetoacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloroacetoacetamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloroacetoacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.