3,3'-(4-Chlorophenylimino)dipropionitrile
TL;DR: 3,3'-(4-Chlorophenylimino)dipropionitrile (CAS 100122-21-2) is a chemical compound with molecular formula C12H12ClN3 and molecular weight 233.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-chloro-N-(2-cyanoethyl)anilino]propanenitrile
Also Known As: 3,3'-(4-chloro-phenylimino)-di-propionitrile, 3,3'-(4-CHLOROPHENYLIMINO)DIPROPIONITRILE, 3-[(4-chlorophenyl)(2-cyanoethyl)amino]propanenitrile, 3,3 -[(4-Chlorophenyl)imino]bispropanenitrile, 3-[4-chloro-N-(2-cyanoethyl)anilino]propanenitrile
| Molecular Formula | C12H12ClN3 |
|---|---|
| Molecular Weight | 233.07 g/mol |
| LogP | 2.97376 |
| Topological Polar Surface Area | 50.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 233.07198 |
| Heavy Atoms | 16 |
| Complexity | 381.75742 |
Chemical Identifiers
| CAS Number | 100122-21-2 |
|---|---|
| SMILES | C1=CC(=CC=C1N(CCC#N)CCC#N)Cl |
Product Overview
3,3'-(4-Chlorophenylimino)dipropionitrile (CAS 100122-21-2), with molecular formula C12H12ClN3 and molecular weight 233.07 g/mol. IUPAC: 3-[4-chloro-N-(2-cyanoethyl)anilino]propanenitrile.
Chemical Property Profile of 3,3'-(4-Chlorophenylimino)dipropionitrile
Property Insights of 3,3'-(4-Chlorophenylimino)dipropionitrile
The XLogP value of 2.97376 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3'-(4-Chlorophenylimino)dipropionitrile. With a topological polar surface area (TPSA) of 50.82 Ų, 3,3'-(4-Chlorophenylimino)dipropionitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3'-(4-Chlorophenylimino)dipropionitrile has 0 hydrogen bond donor(s) and 3 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 3,3'-(4-Chlorophenylimino)dipropionitrile?
The CAS number of 3,3'-(4-Chlorophenylimino)dipropionitrile is 100122-21-2.
What is the molecular formula of 3,3'-(4-Chlorophenylimino)dipropionitrile?
The molecular formula of 3,3'-(4-Chlorophenylimino)dipropionitrile is C12H12ClN3.
What is the molecular weight of 3,3'-(4-Chlorophenylimino)dipropionitrile?
The molecular weight of 3,3'-(4-Chlorophenylimino)dipropionitrile is 233.07 g/mol.
Where can I buy 3,3'-(4-Chlorophenylimino)dipropionitrile?
You can request a quote for 3,3'-(4-Chlorophenylimino)dipropionitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-(4-Chlorophenylimino)dipropionitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-(4-Chlorophenylimino)dipropionitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.