4-(5-Phenyltetrazol-2-yl)butanenitrile
TL;DR: 4-(5-Phenyltetrazol-2-yl)butanenitrile (CAS 445265-00-9) is a chemical compound with molecular formula C11H11N5 and molecular weight 213.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-phenyltetrazol-2-yl)butanenitrile
Also Known As: 4-(5-phenyltetrazol-2-yl)butanenitrile, 2-(3-cyanopropyl)-5-phenyltetrazole, 4-(5-Phenyl-2h-tetrazol-2-yl)butanenitrile, 4-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)butanenitrile
| Molecular Formula | C11H11N5 |
|---|---|
| Molecular Weight | 213.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 213.10144 |
| Heavy Atoms | 16 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 445265-00-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN(N=N2)CCCC#N |
| InChIKey | KBUBMOIYOYKKKP-UHFFFAOYSA-N |
Product Overview
4-(5-Phenyltetrazol-2-yl)butanenitrile (CAS 445265-00-9), with molecular formula C11H11N5 and molecular weight 213.10 g/mol. IUPAC: 4-(5-phenyltetrazol-2-yl)butanenitrile.
Chemical Property Profile of 4-(5-Phenyltetrazol-2-yl)butanenitrile
Property Insights of 4-(5-Phenyltetrazol-2-yl)butanenitrile
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(5-Phenyltetrazol-2-yl)butanenitrile. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-Phenyltetrazol-2-yl)butanenitrile. Following Lipinski's Rule of Five, 4-(5-Phenyltetrazol-2-yl)butanenitrile 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 4-(5-Phenyltetrazol-2-yl)butanenitrile?
The CAS number of 4-(5-Phenyltetrazol-2-yl)butanenitrile is 445265-00-9.
What is the molecular formula of 4-(5-Phenyltetrazol-2-yl)butanenitrile?
The molecular formula of 4-(5-Phenyltetrazol-2-yl)butanenitrile is C11H11N5.
What is the molecular weight of 4-(5-Phenyltetrazol-2-yl)butanenitrile?
The molecular weight of 4-(5-Phenyltetrazol-2-yl)butanenitrile is 213.10 g/mol.
Where can I buy 4-(5-Phenyltetrazol-2-yl)butanenitrile?
You can request a quote for 4-(5-Phenyltetrazol-2-yl)butanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-Phenyltetrazol-2-yl)butanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-Phenyltetrazol-2-yl)butanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.