1-phenyl-1H-1,2,3-benzotriazole-5,6-dicarbonitrile
TL;DR: 1-phenyl-1H-1,2,3-benzotriazole-5,6-dicarbonitrile (CAS 355435-67-5) is a chemical compound with molecular formula C14H7N5 and molecular weight 245.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenylbenzotriazole-5,6-dicarbonitrile
Also Known As: 1-phenylbenzotriazole-5,6-dicarbonitrile, 1-phenyl-1H-1,2,3-benzotriazole-5,6-dicarbonitrile, 1-Phenyl-1H-benzotriazole-5,6-dicarbonitrile, BAS 06996293
| Molecular Formula | C14H7N5 |
|---|---|
| Molecular Weight | 245.07 g/mol |
| LogP | 2.16386 |
| Topological Polar Surface Area | 78.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 245.07014 |
| Heavy Atoms | 19 |
| Complexity | 833.8842 |
Chemical Identifiers
| CAS Number | 355435-67-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C3=C(C=C(C(=C3)C#N)C#N)N=N2 |
Product Overview
1-phenyl-1H-1,2,3-benzotriazole-5,6-dicarbonitrile (CAS 355435-67-5), with molecular formula C14H7N5 and molecular weight 245.07 g/mol. IUPAC: 1-phenylbenzotriazole-5,6-dicarbonitrile.
Chemical Property Profile of 1-phenyl-1H-1,2,3-benzotriazole-5,6-dicarbonitrile
Property Insights of 1-phenyl-1H-1,2,3-benzotriazole-5,6-dicarbonitrile
The XLogP value of 2.16386 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-phenyl-1H-1,2,3-benzotriazole-5,6-dicarbonitrile. The TPSA of 78.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-phenyl-1H-1,2,3-benzotriazole-5,6-dicarbonitrile. Following Lipinski's Rule of Five, 1-phenyl-1H-1,2,3-benzotriazole-5,6-dicarbonitrile has 0 hydrogen bond donor(s) and 4 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 1-phenyl-1H-1,2,3-benzotriazole-5,6-dicarbonitrile?
The CAS number of 1-phenyl-1H-1,2,3-benzotriazole-5,6-dicarbonitrile is 355435-67-5.
What is the molecular formula of 1-phenyl-1H-1,2,3-benzotriazole-5,6-dicarbonitrile?
The molecular formula of 1-phenyl-1H-1,2,3-benzotriazole-5,6-dicarbonitrile is C14H7N5.
What is the molecular weight of 1-phenyl-1H-1,2,3-benzotriazole-5,6-dicarbonitrile?
The molecular weight of 1-phenyl-1H-1,2,3-benzotriazole-5,6-dicarbonitrile is 245.07 g/mol.
Where can I buy 1-phenyl-1H-1,2,3-benzotriazole-5,6-dicarbonitrile?
You can request a quote for 1-phenyl-1H-1,2,3-benzotriazole-5,6-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-phenyl-1H-1,2,3-benzotriazole-5,6-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-phenyl-1H-1,2,3-benzotriazole-5,6-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.