2-((4-Chlorophenyl)methyl)propanedinitrile
TL;DR: 2-((4-Chlorophenyl)methyl)propanedinitrile (CAS 2964-33-2) is a chemical compound with molecular formula C10H7ClN2 and molecular weight 190.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methyl]propanedinitrile
Also Known As: 4-Chlor-benzyl-malonitril, (p-Chlorobenzyl)malononitrile, 4-Chlorobenzylmalononitrile, (4-chlorobenzyl)malononitrile, MALONONITRILE, (p-CHLOROBENZYL)-
| Molecular Formula | C10H7ClN2 |
|---|---|
| Molecular Weight | 190.03 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 190.02977 |
| Heavy Atoms | 13 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 2964-33-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(C#N)C#N)Cl |
| InChIKey | KZVZSAZGEKLWOJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-((4-Chlorophenyl)methyl)propanedinitrile (CAS 2964-33-2), with molecular formula C10H7ClN2 and molecular weight 190.03 g/mol. IUPAC: 2-[(4-chlorophenyl)methyl]propanedinitrile.
Chemical Property Profile of 2-((4-Chlorophenyl)methyl)propanedinitrile
Property Insights of 2-((4-Chlorophenyl)methyl)propanedinitrile
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-Chlorophenyl)methyl)propanedinitrile. With a topological polar surface area (TPSA) of 47.6 Ų, 2-((4-Chlorophenyl)methyl)propanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-Chlorophenyl)methyl)propanedinitrile 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 2-((4-Chlorophenyl)methyl)propanedinitrile?
The CAS number of 2-((4-Chlorophenyl)methyl)propanedinitrile is 2964-33-2.
What is the molecular formula of 2-((4-Chlorophenyl)methyl)propanedinitrile?
The molecular formula of 2-((4-Chlorophenyl)methyl)propanedinitrile is C10H7ClN2.
What is the molecular weight of 2-((4-Chlorophenyl)methyl)propanedinitrile?
The molecular weight of 2-((4-Chlorophenyl)methyl)propanedinitrile is 190.03 g/mol.
Where can I buy 2-((4-Chlorophenyl)methyl)propanedinitrile?
You can request a quote for 2-((4-Chlorophenyl)methyl)propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-Chlorophenyl)methyl)propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Chlorophenyl)methyl)propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.