2,3-Bis(4-methylphenyl)tetrazol-2-ium-5-carbonitrile
TL;DR: 2,3-Bis(4-methylphenyl)tetrazol-2-ium-5-carbonitrile (CAS 740046-79-1) is a chemical compound with molecular formula C16H14N5+ and molecular weight 276.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-bis(4-methylphenyl)tetrazol-2-ium-5-carbonitrile
Also Known As: 5-Cyano-2,3-di(p-tolyl)-2H-tetrazol-3-ium, 2,3-Di(p-tolyl)-5-cyano-2H-tetrazole-3-ium, 5-Cyano-2,3-bis(p-tolyl)-2H-tetrazol-3-ium, 5-Cyano-2,3-di(p-tolyl)-3H-tetrazol-2-ium, 2,3-Bis(4-methylphenyl)-5-cyano-2H-tetrazol-3-ium
| Molecular Formula | C16H14N5+ |
|---|---|
| Molecular Weight | 276.12 g/mol |
| LogP | 2.03252 |
| Topological Polar Surface Area | 58.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.1249 |
| Heavy Atoms | 21 |
| Complexity | 744.36884 |
Chemical Identifiers
| CAS Number | 740046-79-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2N=C(N=[N+]2C3=CC=C(C=C3)C)C#N |
Product Overview
2,3-Bis(4-methylphenyl)tetrazol-2-ium-5-carbonitrile (CAS 740046-79-1), with molecular formula C16H14N5+ and molecular weight 276.12 g/mol. IUPAC: 2,3-bis(4-methylphenyl)tetrazol-2-ium-5-carbonitrile.
Chemical Property Profile of 2,3-Bis(4-methylphenyl)tetrazol-2-ium-5-carbonitrile
Property Insights of 2,3-Bis(4-methylphenyl)tetrazol-2-ium-5-carbonitrile
The XLogP value of 2.03252 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Bis(4-methylphenyl)tetrazol-2-ium-5-carbonitrile. With a topological polar surface area (TPSA) of 58.38 Ų, 2,3-Bis(4-methylphenyl)tetrazol-2-ium-5-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Bis(4-methylphenyl)tetrazol-2-ium-5-carbonitrile has 0 hydrogen bond donor(s) and 3 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 2,3-Bis(4-methylphenyl)tetrazol-2-ium-5-carbonitrile?
The CAS number of 2,3-Bis(4-methylphenyl)tetrazol-2-ium-5-carbonitrile is 740046-79-1.
What is the molecular formula of 2,3-Bis(4-methylphenyl)tetrazol-2-ium-5-carbonitrile?
The molecular formula of 2,3-Bis(4-methylphenyl)tetrazol-2-ium-5-carbonitrile is C16H14N5+.
What is the molecular weight of 2,3-Bis(4-methylphenyl)tetrazol-2-ium-5-carbonitrile?
The molecular weight of 2,3-Bis(4-methylphenyl)tetrazol-2-ium-5-carbonitrile is 276.12 g/mol.
Where can I buy 2,3-Bis(4-methylphenyl)tetrazol-2-ium-5-carbonitrile?
You can request a quote for 2,3-Bis(4-methylphenyl)tetrazol-2-ium-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Bis(4-methylphenyl)tetrazol-2-ium-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Bis(4-methylphenyl)tetrazol-2-ium-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.