2-(2H-2,3,4,5-Tetraazolyl)-3-((4-(phenylamino)phenyl)amino)prop-2-enenitrile
TL;DR: 2-(2H-2,3,4,5-Tetraazolyl)-3-((4-(phenylamino)phenyl)amino)prop-2-enenitrile (CAS 683799-78-2) is a chemical compound with molecular formula C16H13N7 and molecular weight 303.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-anilinoanilino)-2-(2H-tetrazol-5-yl)prop-2-enenitrile
Also Known As: 3-(4-anilinoanilino)-2-(2H-tetrazol-5-yl)prop-2-enenitrile, 2-(2H-2,3,4,5-TETRAAZOLYL)-3-((4-(PHENYLAMINO)PHENYL)AMINO)PROP-2-ENENITRILE, 3-{[4-(phenylamino)phenyl]amino}-2-(2h-1,2,3,4-tetrazol-5-yl)prop-2-enenitrile, FTA
| Molecular Formula | C16H13N7 |
|---|---|
| Molecular Weight | 303.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.12323 |
| Heavy Atoms | 23 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 683799-78-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=CC=C(C=C2)NC=C(C#N)C3=NNN=N3 |
| InChIKey | FLPLCJJGNZGOAW-UHFFFAOYSA-N |
Product Overview
2-(2H-2,3,4,5-Tetraazolyl)-3-((4-(phenylamino)phenyl)amino)prop-2-enenitrile (CAS 683799-78-2), with molecular formula C16H13N7 and molecular weight 303.12 g/mol. IUPAC: 3-(4-anilinoanilino)-2-(2H-tetrazol-5-yl)prop-2-enenitrile.
Chemical Property Profile of 2-(2H-2,3,4,5-Tetraazolyl)-3-((4-(phenylamino)phenyl)amino)prop-2-enenitrile
Property Insights of 2-(2H-2,3,4,5-Tetraazolyl)-3-((4-(phenylamino)phenyl)amino)prop-2-enenitrile
The XLogP value of 3.1 indicates that 2-(2H-2,3,4,5-Tetraazolyl)-3-((4-(phenylamino)phenyl)amino)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2H-2,3,4,5-Tetraazolyl)-3-((4-(phenylamino)phenyl)amino)prop-2-enenitrile. Following Lipinski's Rule of Five, 2-(2H-2,3,4,5-Tetraazolyl)-3-((4-(phenylamino)phenyl)amino)prop-2-enenitrile has 3 hydrogen bond donor(s) and 6 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-(2H-2,3,4,5-Tetraazolyl)-3-((4-(phenylamino)phenyl)amino)prop-2-enenitrile?
The CAS number of 2-(2H-2,3,4,5-Tetraazolyl)-3-((4-(phenylamino)phenyl)amino)prop-2-enenitrile is 683799-78-2.
What is the molecular formula of 2-(2H-2,3,4,5-Tetraazolyl)-3-((4-(phenylamino)phenyl)amino)prop-2-enenitrile?
The molecular formula of 2-(2H-2,3,4,5-Tetraazolyl)-3-((4-(phenylamino)phenyl)amino)prop-2-enenitrile is C16H13N7.
What is the molecular weight of 2-(2H-2,3,4,5-Tetraazolyl)-3-((4-(phenylamino)phenyl)amino)prop-2-enenitrile?
The molecular weight of 2-(2H-2,3,4,5-Tetraazolyl)-3-((4-(phenylamino)phenyl)amino)prop-2-enenitrile is 303.12 g/mol.
Where can I buy 2-(2H-2,3,4,5-Tetraazolyl)-3-((4-(phenylamino)phenyl)amino)prop-2-enenitrile?
You can request a quote for 2-(2H-2,3,4,5-Tetraazolyl)-3-((4-(phenylamino)phenyl)amino)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 2-(2H-2,3,4,5-Tetraazolyl)-3-((4-(phenylamino)phenyl)amino)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2H-2,3,4,5-Tetraazolyl)-3-((4-(phenylamino)phenyl)amino)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.