![2-[4-(Tetrazol-1-yl)phenyl]acetonitrile structure](/static/products/6951/695197-83-2.webp)
2-[4-(Tetrazol-1-yl)phenyl]acetonitrile
TL;DR: 2-[4-(Tetrazol-1-yl)phenyl]acetonitrile (CAS 695197-83-2) is a chemical compound with molecular formula C9H7N5 and molecular weight 185.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(tetrazol-1-yl)phenyl]acetonitrile
Also Known As: 2-[4-(tetrazol-1-yl)phenyl]acetonitrile, (4-Tetrazol-1-yl-phenyl)-acetonitrile, [4-(1H-tetrazol-1-yl)phenyl]acetonitrile, Benzeneacetonitrile, 4-(1H-tetrazol-1-yl)-, 2-(4-(1,2,3,4-tetraazolyl)phenyl)ethanenitrile
| Molecular Formula | C9H7N5 |
|---|---|
| Molecular Weight | 185.07 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 185.07014 |
| Heavy Atoms | 14 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 695197-83-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CC#N)N2C=NN=N2 |
| InChIKey | VCKSMAJGWRWEQH-UHFFFAOYSA-N |
Product Overview
2-[4-(Tetrazol-1-yl)phenyl]acetonitrile (CAS 695197-83-2), with molecular formula C9H7N5 and molecular weight 185.07 g/mol. IUPAC: 2-[4-(tetrazol-1-yl)phenyl]acetonitrile.
Chemical Property Profile of 2-[4-(Tetrazol-1-yl)phenyl]acetonitrile
Property Insights of 2-[4-(Tetrazol-1-yl)phenyl]acetonitrile
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(Tetrazol-1-yl)phenyl]acetonitrile. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-(Tetrazol-1-yl)phenyl]acetonitrile. Following Lipinski's Rule of Five, 2-[4-(Tetrazol-1-yl)phenyl]acetonitrile 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-[4-(Tetrazol-1-yl)phenyl]acetonitrile?
The CAS number of 2-[4-(Tetrazol-1-yl)phenyl]acetonitrile is 695197-83-2.
What is the molecular formula of 2-[4-(Tetrazol-1-yl)phenyl]acetonitrile?
The molecular formula of 2-[4-(Tetrazol-1-yl)phenyl]acetonitrile is C9H7N5.
What is the molecular weight of 2-[4-(Tetrazol-1-yl)phenyl]acetonitrile?
The molecular weight of 2-[4-(Tetrazol-1-yl)phenyl]acetonitrile is 185.07 g/mol.
Where can I buy 2-[4-(Tetrazol-1-yl)phenyl]acetonitrile?
You can request a quote for 2-[4-(Tetrazol-1-yl)phenyl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(Tetrazol-1-yl)phenyl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(Tetrazol-1-yl)phenyl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.