2-Chloro-3-(4-chlorophenyl)propanenitrile
TL;DR: 2-Chloro-3-(4-chlorophenyl)propanenitrile (CAS 17849-64-8) is a chemical compound with molecular formula C9H7Cl2N and molecular weight 199.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3-(4-chlorophenyl)propanenitrile
Also Known As: 2-chloro-3-(4-chlorophenyl)propanenitrile, 2-chloro-3-(4-chlorophenyl)-propionitrile, 2-CHLORO-3-(4-CHLOROPHENYL)PROPIONITRILE, J1.557.280I
| Molecular Formula | C9H7Cl2N |
|---|---|
| Molecular Weight | 199.00 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.99556 |
| Heavy Atoms | 12 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 17849-64-8 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(C#N)Cl)Cl |
| InChIKey | HOMTWGUIQUDIKT-UHFFFAOYSA-N |
Product Overview
2-Chloro-3-(4-chlorophenyl)propanenitrile (CAS 17849-64-8), with molecular formula C9H7Cl2N and molecular weight 199.00 g/mol. IUPAC: 2-chloro-3-(4-chlorophenyl)propanenitrile.
Chemical Property Profile of 2-Chloro-3-(4-chlorophenyl)propanenitrile
Property Insights of 2-Chloro-3-(4-chlorophenyl)propanenitrile
The XLogP value of 3.2 indicates that 2-Chloro-3-(4-chlorophenyl)propanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 2-Chloro-3-(4-chlorophenyl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-3-(4-chlorophenyl)propanenitrile 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-Chloro-3-(4-chlorophenyl)propanenitrile?
The CAS number of 2-Chloro-3-(4-chlorophenyl)propanenitrile is 17849-64-8.
What is the molecular formula of 2-Chloro-3-(4-chlorophenyl)propanenitrile?
The molecular formula of 2-Chloro-3-(4-chlorophenyl)propanenitrile is C9H7Cl2N.
What is the molecular weight of 2-Chloro-3-(4-chlorophenyl)propanenitrile?
The molecular weight of 2-Chloro-3-(4-chlorophenyl)propanenitrile is 199.00 g/mol.
Where can I buy 2-Chloro-3-(4-chlorophenyl)propanenitrile?
You can request a quote for 2-Chloro-3-(4-chlorophenyl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-3-(4-chlorophenyl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-3-(4-chlorophenyl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.