1-Phenylbenzotriazole-5-carbonitrile
TL;DR: 1-Phenylbenzotriazole-5-carbonitrile (CAS 355435-68-6) is a chemical compound with molecular formula C13H8N4 and molecular weight 220.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenylbenzotriazole-5-carbonitrile
Also Known As: 1-phenylbenzotriazole-5-carbonitrile, 1-phenyl-1H-benzotriazole-5-carbonitrile, 1-phenyl-1H-1,2,3-benzotriazole-5-carbonitrile, 1-PHENYL-1H-1,2,3-BENZOTRIAZOL-5-YL CYANIDE, 1-phenyl-1H-benzo[d][1,2,3]triazole-5-carbonitrile
| Molecular Formula | C13H8N4 |
|---|---|
| Molecular Weight | 220.07 g/mol |
| LogP | 2.29218 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.07489 |
| Heavy Atoms | 17 |
| Complexity | 707.11273 |
Chemical Identifiers
| CAS Number | 355435-68-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C#N)N=N2 |
Product Overview
1-Phenylbenzotriazole-5-carbonitrile (CAS 355435-68-6), with molecular formula C13H8N4 and molecular weight 220.07 g/mol. IUPAC: 1-phenylbenzotriazole-5-carbonitrile.
Chemical Property Profile of 1-Phenylbenzotriazole-5-carbonitrile
Property Insights of 1-Phenylbenzotriazole-5-carbonitrile
The XLogP value of 2.29218 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenylbenzotriazole-5-carbonitrile. With a topological polar surface area (TPSA) of 54.5 Ų, 1-Phenylbenzotriazole-5-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenylbenzotriazole-5-carbonitrile 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 1-Phenylbenzotriazole-5-carbonitrile?
The CAS number of 1-Phenylbenzotriazole-5-carbonitrile is 355435-68-6.
What is the molecular formula of 1-Phenylbenzotriazole-5-carbonitrile?
The molecular formula of 1-Phenylbenzotriazole-5-carbonitrile is C13H8N4.
What is the molecular weight of 1-Phenylbenzotriazole-5-carbonitrile?
The molecular weight of 1-Phenylbenzotriazole-5-carbonitrile is 220.07 g/mol.
Where can I buy 1-Phenylbenzotriazole-5-carbonitrile?
You can request a quote for 1-Phenylbenzotriazole-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenylbenzotriazole-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenylbenzotriazole-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.