2-(2H-2,3,4,5-Tetraazolyl)-3-((4-phenoxyphenyl)amino)prop-2-enenitrile
TL;DR: 2-(2H-2,3,4,5-Tetraazolyl)-3-((4-phenoxyphenyl)amino)prop-2-enenitrile (CAS 1025590-77-5) is a chemical compound with molecular formula C16H12N6O and molecular weight 304.10727 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-phenoxyanilino)-2-(2H-tetrazol-5-yl)prop-2-enenitrile
Also Known As: 2-(2H-2,3,4,5-TETRAAZOLYL)-3-((4-PHENOXYPHENYL)AMINO)PROP-2-ENENITRILE, 3-(4-phenoxyanilino)-2-(2H-tetrazol-5-yl)prop-2-enenitrile, 3-[(4-phenoxyphenyl)amino]-2-(2H-tetrazol-5-yl)prop-2-enenitrile, (2E)-3-[(4-phenoxyphenyl)amino]-2-(1H-1,2,3,4-tetrazol-5-yl)prop-2-enenitrile
Technical Specifications
| Molecular Formula | C16H12N6O |
| Molecular Weight | 304.10727 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 99.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 304.10727 Da |
| Heavy Atoms | 23 |
| Complexity | 445.0 |
| SMILES | C1=CC=C(C=C1)OC2=CC=C(C=C2)NC=C(C#N)C3=NNN=N3 |
| InChIKey | HEUUUXQCLBDGRW-UHFFFAOYSA-N |
Chemical Property Profile of 2-(2H-2,3,4,5-Tetraazolyl)-3-((4-phenoxyphenyl)amino)prop-2-enenitrile
Property Insights of 2-(2H-2,3,4,5-Tetraazolyl)-3-((4-phenoxyphenyl)amino)prop-2-enenitrile
The XLogP value of 3.1 indicates that 2-(2H-2,3,4,5-Tetraazolyl)-3-((4-phenoxyphenyl)amino)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2H-2,3,4,5-Tetraazolyl)-3-((4-phenoxyphenyl)amino)prop-2-enenitrile. Following Lipinski's Rule of Five, 2-(2H-2,3,4,5-Tetraazolyl)-3-((4-phenoxyphenyl)amino)prop-2-enenitrile has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(2H-2,3,4,5-Tetraazolyl)-3-((4-phenoxyphenyl)amino)prop-2-enenitrile?
The CAS number of 2-(2H-2,3,4,5-Tetraazolyl)-3-((4-phenoxyphenyl)amino)prop-2-enenitrile is 1025590-77-5.
What is the molecular formula of 2-(2H-2,3,4,5-Tetraazolyl)-3-((4-phenoxyphenyl)amino)prop-2-enenitrile?
The molecular formula of 2-(2H-2,3,4,5-Tetraazolyl)-3-((4-phenoxyphenyl)amino)prop-2-enenitrile is C16H12N6O.
What is the molecular weight of 2-(2H-2,3,4,5-Tetraazolyl)-3-((4-phenoxyphenyl)amino)prop-2-enenitrile?
The molecular weight of 2-(2H-2,3,4,5-Tetraazolyl)-3-((4-phenoxyphenyl)amino)prop-2-enenitrile is 304.10727 g/mol.
Where can I buy 2-(2H-2,3,4,5-Tetraazolyl)-3-((4-phenoxyphenyl)amino)prop-2-enenitrile?
You can request a quote for 2-(2H-2,3,4,5-Tetraazolyl)-3-((4-phenoxyphenyl)amino)prop-2-enenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(2H-2,3,4,5-Tetraazolyl)-3-((4-phenoxyphenyl)amino)prop-2-enenitrile?
Yes, CoreyChem provides custom synthesis services for 2-(2H-2,3,4,5-Tetraazolyl)-3-((4-phenoxyphenyl)amino)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.