5-(3-Methylphenyl)-2H-tetrazole-2-propanenitrile
TL;DR: 5-(3-Methylphenyl)-2H-tetrazole-2-propanenitrile (CAS 460363-74-0) 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.
3-[5-(3-methylphenyl)tetrazol-2-yl]propanenitrile
Also Known As: ASN 04935534, 3-(5-m-Tolyl-tetrazol-2-yl)-propionitrile, 5-(3-Methylphenyl)-2H-tetrazole-2-propanenitrile, 3-[5-(3-methylphenyl)tetrazol-2-yl]propanenitrile, 3-[5-(3-Methylphenyl)-2H-tetrazol-2-yl]propanenitrile
| Molecular Formula | C11H11N5 |
|---|---|
| Molecular Weight | 213.10 g/mol |
| LogP | 1.5622 |
| Topological Polar Surface Area | 67.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 213.10144 |
| Heavy Atoms | 16 |
| Complexity | 523.1663 |
Chemical Identifiers
| CAS Number | 460363-74-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NN(N=N2)CCC#N |
Product Overview
5-(3-Methylphenyl)-2H-tetrazole-2-propanenitrile (CAS 460363-74-0), with molecular formula C11H11N5 and molecular weight 213.10 g/mol. IUPAC: 3-[5-(3-methylphenyl)tetrazol-2-yl]propanenitrile.
Chemical Property Profile of 5-(3-Methylphenyl)-2H-tetrazole-2-propanenitrile
Property Insights of 5-(3-Methylphenyl)-2H-tetrazole-2-propanenitrile
The XLogP value of 1.5622 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-Methylphenyl)-2H-tetrazole-2-propanenitrile. The TPSA of 67.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-Methylphenyl)-2H-tetrazole-2-propanenitrile. Following Lipinski's Rule of Five, 5-(3-Methylphenyl)-2H-tetrazole-2-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 5-(3-Methylphenyl)-2H-tetrazole-2-propanenitrile?
The CAS number of 5-(3-Methylphenyl)-2H-tetrazole-2-propanenitrile is 460363-74-0.
What is the molecular formula of 5-(3-Methylphenyl)-2H-tetrazole-2-propanenitrile?
The molecular formula of 5-(3-Methylphenyl)-2H-tetrazole-2-propanenitrile is C11H11N5.
What is the molecular weight of 5-(3-Methylphenyl)-2H-tetrazole-2-propanenitrile?
The molecular weight of 5-(3-Methylphenyl)-2H-tetrazole-2-propanenitrile is 213.10 g/mol.
Where can I buy 5-(3-Methylphenyl)-2H-tetrazole-2-propanenitrile?
You can request a quote for 5-(3-Methylphenyl)-2H-tetrazole-2-propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-Methylphenyl)-2H-tetrazole-2-propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Methylphenyl)-2H-tetrazole-2-propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.