![3-[[(2-Chlorophenyl)methylene]amino]benzonitrile structure](/static/products/4007/400756-20-9.webp)
3-[[(2-Chlorophenyl)methylene]amino]benzonitrile
TL;DR: 3-[[(2-Chlorophenyl)methylene]amino]benzonitrile (CAS 400756-20-9) is a chemical compound with molecular formula C14H9ClN2 and molecular weight 240.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-chlorophenyl)methylideneamino]benzonitrile
Also Known As: 3-[[(2-Chlorophenyl)methylene]amino]benzonitrile, 3-[(2-chlorophenyl)methylideneamino]benzonitrile, 3-{[(2-Chlorophenyl)methylidene]amino}benzonitrile
| Molecular Formula | C14H9ClN2 |
|---|---|
| Molecular Weight | 240.05 g/mol |
| LogP | 3.96228 |
| Topological Polar Surface Area | 36.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 240.04543 |
| Heavy Atoms | 17 |
| Complexity | 597.1664 |
Chemical Identifiers
| CAS Number | 400756-20-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=NC2=CC=CC(=C2)C#N)Cl |
Product Overview
3-[[(2-Chlorophenyl)methylene]amino]benzonitrile (CAS 400756-20-9), with molecular formula C14H9ClN2 and molecular weight 240.05 g/mol. IUPAC: 3-[(2-chlorophenyl)methylideneamino]benzonitrile.
Chemical Property Profile of 3-[[(2-Chlorophenyl)methylene]amino]benzonitrile
Property Insights of 3-[[(2-Chlorophenyl)methylene]amino]benzonitrile
The XLogP value of 3.96228 indicates that 3-[[(2-Chlorophenyl)methylene]amino]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.15 Ų, 3-[[(2-Chlorophenyl)methylene]amino]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[[(2-Chlorophenyl)methylene]amino]benzonitrile 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 3-[[(2-Chlorophenyl)methylene]amino]benzonitrile?
The CAS number of 3-[[(2-Chlorophenyl)methylene]amino]benzonitrile is 400756-20-9.
What is the molecular formula of 3-[[(2-Chlorophenyl)methylene]amino]benzonitrile?
The molecular formula of 3-[[(2-Chlorophenyl)methylene]amino]benzonitrile is C14H9ClN2.
What is the molecular weight of 3-[[(2-Chlorophenyl)methylene]amino]benzonitrile?
The molecular weight of 3-[[(2-Chlorophenyl)methylene]amino]benzonitrile is 240.05 g/mol.
Where can I buy 3-[[(2-Chlorophenyl)methylene]amino]benzonitrile?
You can request a quote for 3-[[(2-Chlorophenyl)methylene]amino]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[[(2-Chlorophenyl)methylene]amino]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[[(2-Chlorophenyl)methylene]amino]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.