2-Phenyltetrazole-5-carbonitrile
TL;DR: 2-Phenyltetrazole-5-carbonitrile (CAS 80236-53-9) is a chemical compound with molecular formula C8H5N5 and molecular weight 171.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyltetrazole-5-carbonitrile
Also Known As: 2-phenyltetrazole-5-carbonitrile, 2-phenyl-5-cyanotetrazole, 2-phenyl-2h-tetrazole-5-carbonitrile, 2-Phenyl-2H-tetrazol-5-carbonitril, 2-phenyl-2H-1,2,3,4-tetrazole-5-carbonitrile
| Molecular Formula | C8H5N5 |
|---|---|
| Molecular Weight | 171.05 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 171.05449 |
| Heavy Atoms | 13 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 80236-53-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2N=C(N=N2)C#N |
| InChIKey | HCMVWOFRTNUXLQ-UHFFFAOYSA-N |
Product Overview
2-Phenyltetrazole-5-carbonitrile (CAS 80236-53-9), with molecular formula C8H5N5 and molecular weight 171.05 g/mol. IUPAC: 2-phenyltetrazole-5-carbonitrile.
Chemical Property Profile of 2-Phenyltetrazole-5-carbonitrile
Property Insights of 2-Phenyltetrazole-5-carbonitrile
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenyltetrazole-5-carbonitrile. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Phenyltetrazole-5-carbonitrile. Following Lipinski's Rule of Five, 2-Phenyltetrazole-5-carbonitrile 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 2-Phenyltetrazole-5-carbonitrile?
The CAS number of 2-Phenyltetrazole-5-carbonitrile is 80236-53-9.
What is the molecular formula of 2-Phenyltetrazole-5-carbonitrile?
The molecular formula of 2-Phenyltetrazole-5-carbonitrile is C8H5N5.
What is the molecular weight of 2-Phenyltetrazole-5-carbonitrile?
The molecular weight of 2-Phenyltetrazole-5-carbonitrile is 171.05 g/mol.
Where can I buy 2-Phenyltetrazole-5-carbonitrile?
You can request a quote for 2-Phenyltetrazole-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenyltetrazole-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenyltetrazole-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.