![2,6-Bis[cyano(phenyl)methyl]benzenecarbonitrile structure](/static/products/3390/339012-88-3.webp)
2,6-Bis[cyano(phenyl)methyl]benzenecarbonitrile
TL;DR: 2,6-Bis[cyano(phenyl)methyl]benzenecarbonitrile (CAS 339012-88-3) is a chemical compound with molecular formula C23H15N3 and molecular weight 333.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-bis[cyano(phenyl)methyl]benzonitrile
Also Known As: 2,6-bis[cyano(phenyl)methyl]benzonitrile, 2,6-bis[cyano(phenyl)methyl]benzenecarbonitrile, 2,6-Biscyano(phenyl)methylbenzenecarbonitrile, 7K-003
| Molecular Formula | C23H15N3 |
|---|---|
| Molecular Weight | 333.13 g/mol |
| LogP | 4.86924 |
| Topological Polar Surface Area | 71.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.1266 |
| Heavy Atoms | 26 |
| Complexity | 943.28345 |
Chemical Identifiers
| CAS Number | 339012-88-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C#N)C2=C(C(=CC=C2)C(C#N)C3=CC=CC=C3)C#N |
Product Overview
2,6-Bis[cyano(phenyl)methyl]benzenecarbonitrile (CAS 339012-88-3), with molecular formula C23H15N3 and molecular weight 333.13 g/mol. IUPAC: 2,6-bis[cyano(phenyl)methyl]benzonitrile.
Chemical Property Profile of 2,6-Bis[cyano(phenyl)methyl]benzenecarbonitrile
Property Insights of 2,6-Bis[cyano(phenyl)methyl]benzenecarbonitrile
The XLogP value of 4.86924 indicates that 2,6-Bis[cyano(phenyl)methyl]benzenecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Bis[cyano(phenyl)methyl]benzenecarbonitrile. Following Lipinski's Rule of Five, 2,6-Bis[cyano(phenyl)methyl]benzenecarbonitrile 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 2,6-Bis[cyano(phenyl)methyl]benzenecarbonitrile?
The CAS number of 2,6-Bis[cyano(phenyl)methyl]benzenecarbonitrile is 339012-88-3.
What is the molecular formula of 2,6-Bis[cyano(phenyl)methyl]benzenecarbonitrile?
The molecular formula of 2,6-Bis[cyano(phenyl)methyl]benzenecarbonitrile is C23H15N3.
What is the molecular weight of 2,6-Bis[cyano(phenyl)methyl]benzenecarbonitrile?
The molecular weight of 2,6-Bis[cyano(phenyl)methyl]benzenecarbonitrile is 333.13 g/mol.
Where can I buy 2,6-Bis[cyano(phenyl)methyl]benzenecarbonitrile?
You can request a quote for 2,6-Bis[cyano(phenyl)methyl]benzenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Bis[cyano(phenyl)methyl]benzenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Bis[cyano(phenyl)methyl]benzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.