2,2-Bis(chloromethyl)propionyl chloride
TL;DR: 2,2-Bis(chloromethyl)propionyl chloride (CAS 4301-04-6) is a chemical compound with molecular formula C5H7Cl3O and molecular weight 187.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-2-(chloromethyl)-2-methylpropanoyl chloride
Also Known As: 3-chloro-2-(chloromethyl)-2-methylpropanoyl chloride, 2,2-bis(chloromethyl)propionyl chloride, 2,2-Bis(chloromethyl)propanoyl chloride, alpha,alpha-bischloromethyl propionyl chloride, Propanoyl chloride, 3-chloro-2-(chloromethyl)-2-methyl-
| Molecular Formula | C5H7Cl3O |
|---|---|
| Molecular Weight | 187.96 g/mol |
| LogP | 2.2357 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 187.95625 |
| Heavy Atoms | 9 |
| Complexity | 108.77074 |
Chemical Identifiers
| CAS Number | 4301-04-6 |
|---|---|
| SMILES | CC(CCl)(CCl)C(=O)Cl |
Product Overview
2,2-Bis(chloromethyl)propionyl chloride (CAS 4301-04-6), with molecular formula C5H7Cl3O and molecular weight 187.96 g/mol. IUPAC: 3-chloro-2-(chloromethyl)-2-methylpropanoyl chloride.
Chemical Property Profile of 2,2-Bis(chloromethyl)propionyl chloride
Property Insights of 2,2-Bis(chloromethyl)propionyl chloride
The XLogP value of 2.2357 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Bis(chloromethyl)propionyl chloride. With a topological polar surface area (TPSA) of 17.07 Ų, 2,2-Bis(chloromethyl)propionyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Bis(chloromethyl)propionyl chloride has 0 hydrogen bond donor(s) and 1 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 2,2-Bis(chloromethyl)propionyl chloride?
The CAS number of 2,2-Bis(chloromethyl)propionyl chloride is 4301-04-6.
What is the molecular formula of 2,2-Bis(chloromethyl)propionyl chloride?
The molecular formula of 2,2-Bis(chloromethyl)propionyl chloride is C5H7Cl3O.
What is the molecular weight of 2,2-Bis(chloromethyl)propionyl chloride?
The molecular weight of 2,2-Bis(chloromethyl)propionyl chloride is 187.96 g/mol.
Where can I buy 2,2-Bis(chloromethyl)propionyl chloride?
You can request a quote for 2,2-Bis(chloromethyl)propionyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Bis(chloromethyl)propionyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Bis(chloromethyl)propionyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.