2,2-Dichloropropanenitrile
TL;DR: 2,2-Dichloropropanenitrile (CAS 594-40-1) is a chemical compound with molecular formula C3H3Cl2N and molecular weight 122.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dichloropropanenitrile
Also Known As: 2,2-dichloropropanenitrile, 2,2-Dichlor-propionitril, 2,2-dichloro-propionitrile, Propanenitrile, 2,2-dichloro-, alpha,alpha-dichloropropionitrile
| Molecular Formula | C3H3Cl2N |
|---|---|
| Molecular Weight | 122.96 g/mol |
| LogP | 1.70378 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 122.96426 |
| Heavy Atoms | 6 |
| Complexity | 75.77444 |
Chemical Identifiers
| CAS Number | 594-40-1 |
|---|---|
| SMILES | CC(C#N)(Cl)Cl |
Product Overview
2,2-Dichloropropanenitrile (CAS 594-40-1), with molecular formula C3H3Cl2N and molecular weight 122.96 g/mol. IUPAC: 2,2-dichloropropanenitrile.
Chemical Property Profile of 2,2-Dichloropropanenitrile
Property Insights of 2,2-Dichloropropanenitrile
The XLogP value of 1.70378 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dichloropropanenitrile. With a topological polar surface area (TPSA) of 23.79 Ų, 2,2-Dichloropropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dichloropropanenitrile 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-Dichloropropanenitrile?
The CAS number of 2,2-Dichloropropanenitrile is 594-40-1.
What is the molecular formula of 2,2-Dichloropropanenitrile?
The molecular formula of 2,2-Dichloropropanenitrile is C3H3Cl2N.
What is the molecular weight of 2,2-Dichloropropanenitrile?
The molecular weight of 2,2-Dichloropropanenitrile is 122.96 g/mol.
Where can I buy 2,2-Dichloropropanenitrile?
You can request a quote for 2,2-Dichloropropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dichloropropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dichloropropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.