![3-[4-(2-pyridylsulfanyl)anilino]-2-(2H-tetrazol-5-yl)prop-2-enenitrile structure](/static/products/1025/1025609-88-4.webp)
3-[4-(2-pyridylsulfanyl)anilino]-2-(2H-tetrazol-5-yl)prop-2-enenitrile
TL;DR: 3-[4-(2-pyridylsulfanyl)anilino]-2-(2H-tetrazol-5-yl)prop-2-enenitrile (CAS 1025609-88-4) is a chemical compound with molecular formula C15H11N7S and molecular weight 321.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-pyridin-2-ylsulfanylanilino)-2-(2H-tetrazol-5-yl)prop-2-enenitrile
Also Known As: 2-(2H-2,3,4,5-TETRAAZOLYL)-3-((4-(2-PYRIDYLTHIO)PHENYL)AMINO)PROP-2-ENENITRILE, 3-(4-pyridin-2-ylsulfanylanilino)-2-(2H-tetrazol-5-yl)prop-2-enenitrile, 3-[4-(2-pyridylsulfanyl)anilino]-2-(2H-tetrazol-5-yl)prop-2-enenitrile, 3-[(4-pyridin-2-ylsulfanylphenyl)amino]-2-(2H-tetrazol-5-yl)prop-2-enenitrile
| Molecular Formula | C15H11N7S |
|---|---|
| Molecular Weight | 321.08 g/mol |
| LogP | 2.72248 |
| Topological Polar Surface Area | 103.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.07965 |
| Heavy Atoms | 23 |
| Complexity | 820.5218 |
Chemical Identifiers
| CAS Number | 1025609-88-4 |
|---|---|
| SMILES | C1=CC=NC(=C1)SC2=CC=C(C=C2)NC=C(C#N)C3=NNN=N3 |
Product Overview
3-[4-(2-pyridylsulfanyl)anilino]-2-(2H-tetrazol-5-yl)prop-2-enenitrile (CAS 1025609-88-4), with molecular formula C15H11N7S and molecular weight 321.08 g/mol. IUPAC: 3-(4-pyridin-2-ylsulfanylanilino)-2-(2H-tetrazol-5-yl)prop-2-enenitrile.
Chemical Property Profile of 3-[4-(2-pyridylsulfanyl)anilino]-2-(2H-tetrazol-5-yl)prop-2-enenitrile
Property Insights of 3-[4-(2-pyridylsulfanyl)anilino]-2-(2H-tetrazol-5-yl)prop-2-enenitrile
The XLogP value of 2.72248 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[4-(2-pyridylsulfanyl)anilino]-2-(2H-tetrazol-5-yl)prop-2-enenitrile. The TPSA of 103.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[4-(2-pyridylsulfanyl)anilino]-2-(2H-tetrazol-5-yl)prop-2-enenitrile. Following Lipinski's Rule of Five, 3-[4-(2-pyridylsulfanyl)anilino]-2-(2H-tetrazol-5-yl)prop-2-enenitrile has 2 hydrogen bond donor(s) and 7 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-[4-(2-pyridylsulfanyl)anilino]-2-(2H-tetrazol-5-yl)prop-2-enenitrile?
The CAS number of 3-[4-(2-pyridylsulfanyl)anilino]-2-(2H-tetrazol-5-yl)prop-2-enenitrile is 1025609-88-4.
What is the molecular formula of 3-[4-(2-pyridylsulfanyl)anilino]-2-(2H-tetrazol-5-yl)prop-2-enenitrile?
The molecular formula of 3-[4-(2-pyridylsulfanyl)anilino]-2-(2H-tetrazol-5-yl)prop-2-enenitrile is C15H11N7S.
What is the molecular weight of 3-[4-(2-pyridylsulfanyl)anilino]-2-(2H-tetrazol-5-yl)prop-2-enenitrile?
The molecular weight of 3-[4-(2-pyridylsulfanyl)anilino]-2-(2H-tetrazol-5-yl)prop-2-enenitrile is 321.08 g/mol.
Where can I buy 3-[4-(2-pyridylsulfanyl)anilino]-2-(2H-tetrazol-5-yl)prop-2-enenitrile?
You can request a quote for 3-[4-(2-pyridylsulfanyl)anilino]-2-(2H-tetrazol-5-yl)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-(2-pyridylsulfanyl)anilino]-2-(2H-tetrazol-5-yl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(2-pyridylsulfanyl)anilino]-2-(2H-tetrazol-5-yl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.