4-Chloro-3-oxobutyryl chloride
TL;DR: 4-Chloro-3-oxobutyryl chloride (CAS 41295-64-1) is a chemical compound with molecular formula C4H4Cl2O2 and molecular weight 153.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-oxobutanoyl chloride
Also Known As: 4-chloro-3-oxobutanoyl chloride, 4-Chloro-3-oxobutyryl chloride, 4-Chloroacetoacetyl chloride, chloroacetoacetyl chloride, Butanoyl chloride,4-chloro-3-oxo-
| Molecular Formula | C4H4Cl2O2 |
|---|---|
| Molecular Weight | 153.96 g/mol |
| LogP | 0.9498 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 153.95883 |
| Heavy Atoms | 8 |
| Complexity | 110.605934 |
Chemical Identifiers
| CAS Number | 41295-64-1 |
|---|---|
| SMILES | C(C(=O)CCl)C(=O)Cl |
Product Overview
4-Chloro-3-oxobutyryl chloride (CAS 41295-64-1), with molecular formula C4H4Cl2O2 and molecular weight 153.96 g/mol. IUPAC: 4-chloro-3-oxobutanoyl chloride.
Chemical Property Profile of 4-Chloro-3-oxobutyryl chloride
Property Insights of 4-Chloro-3-oxobutyryl chloride
The XLogP value of 0.9498 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-3-oxobutyryl chloride. With a topological polar surface area (TPSA) of 34.14 Ų, 4-Chloro-3-oxobutyryl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-3-oxobutyryl chloride has 0 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-3-oxobutyryl chloride?
The CAS number of 4-Chloro-3-oxobutyryl chloride is 41295-64-1.
What is the molecular formula of 4-Chloro-3-oxobutyryl chloride?
The molecular formula of 4-Chloro-3-oxobutyryl chloride is C4H4Cl2O2.
What is the molecular weight of 4-Chloro-3-oxobutyryl chloride?
The molecular weight of 4-Chloro-3-oxobutyryl chloride is 153.96 g/mol.
Where can I buy 4-Chloro-3-oxobutyryl chloride?
You can request a quote for 4-Chloro-3-oxobutyryl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-3-oxobutyryl chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3-oxobutyryl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.