![3-[5-(4-Ethylphenyl)tetrazol-2-yl]propanenitrile structure](/static/products/460/460363-92-2.png)
3-[5-(4-Ethylphenyl)tetrazol-2-yl]propanenitrile
TL;DR: 3-[5-(4-Ethylphenyl)tetrazol-2-yl]propanenitrile (CAS 460363-92-2) is a chemical compound with molecular formula C12H13N5 and molecular weight 227.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-(4-ethylphenyl)tetrazol-2-yl]propanenitrile
Also Known As: ASN 04935558, 3-[5-(4-ethylphenyl)tetrazol-2-yl]propanenitrile, 3-[5-(4-Ethyl-phenyl)-tetrazol-2-yl]-propionitrile, 2H-Tetrazole-2-propanenitrile, 5-(4-ethylphenyl)- (9CI)
| Molecular Formula | C12H13N5 |
|---|---|
| Molecular Weight | 227.12 g/mol |
| LogP | 1.81618 |
| Topological Polar Surface Area | 67.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 227.1171 |
| Heavy Atoms | 17 |
| Complexity | 520.57416 |
Chemical Identifiers
| CAS Number | 460363-92-2 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C2=NN(N=N2)CCC#N |
Product Overview
3-[5-(4-Ethylphenyl)tetrazol-2-yl]propanenitrile (CAS 460363-92-2), with molecular formula C12H13N5 and molecular weight 227.12 g/mol. IUPAC: 3-[5-(4-ethylphenyl)tetrazol-2-yl]propanenitrile.
Chemical Property Profile of 3-[5-(4-Ethylphenyl)tetrazol-2-yl]propanenitrile
Property Insights of 3-[5-(4-Ethylphenyl)tetrazol-2-yl]propanenitrile
The XLogP value of 1.81618 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[5-(4-Ethylphenyl)tetrazol-2-yl]propanenitrile. The TPSA of 67.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[5-(4-Ethylphenyl)tetrazol-2-yl]propanenitrile. Following Lipinski's Rule of Five, 3-[5-(4-Ethylphenyl)tetrazol-2-yl]propanenitrile 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 3-[5-(4-Ethylphenyl)tetrazol-2-yl]propanenitrile?
The CAS number of 3-[5-(4-Ethylphenyl)tetrazol-2-yl]propanenitrile is 460363-92-2.
What is the molecular formula of 3-[5-(4-Ethylphenyl)tetrazol-2-yl]propanenitrile?
The molecular formula of 3-[5-(4-Ethylphenyl)tetrazol-2-yl]propanenitrile is C12H13N5.
What is the molecular weight of 3-[5-(4-Ethylphenyl)tetrazol-2-yl]propanenitrile?
The molecular weight of 3-[5-(4-Ethylphenyl)tetrazol-2-yl]propanenitrile is 227.12 g/mol.
Where can I buy 3-[5-(4-Ethylphenyl)tetrazol-2-yl]propanenitrile?
You can request a quote for 3-[5-(4-Ethylphenyl)tetrazol-2-yl]propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[5-(4-Ethylphenyl)tetrazol-2-yl]propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[5-(4-Ethylphenyl)tetrazol-2-yl]propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.