3-(2,4-difluoroanilino)-2-(2H-tetrazol-5-yl)prop-2-enenitrile
TL;DR: 3-(2,4-difluoroanilino)-2-(2H-tetrazol-5-yl)prop-2-enenitrile (CAS 1025649-05-1) is a chemical compound with molecular formula C10H6F2N6 and molecular weight 248.0622 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2,4-difluoroanilino)-2-(2H-tetrazol-5-yl)prop-2-enenitrile
Also Known As: 3-(2,4-difluoroanilino)-2-(2H-tetrazol-5-yl)prop-2-enenitrile, 2-(2H-2,3,4,5-TETRAAZOLYL)-3-((2,4-DIFLUOROPHENYL)AMINO)PROP-2-ENENITRILE, 3-[(2,4-difluorophenyl)amino]-2-(2H-tetrazol-5-yl)prop-2-enenitrile, C10H6F2N6
Technical Specifications
| Molecular Formula | C10H6F2N6 |
| Molecular Weight | 248.0622 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 90.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.0622 Da |
| Heavy Atoms | 18 |
| Complexity | 365.0 |
| SMILES | C1=CC(=C(C=C1F)F)NC=C(C#N)C2=NNN=N2 |
| InChIKey | DAIUEFICGIICPM-UHFFFAOYSA-N |
Chemical Property Profile of 3-(2,4-difluoroanilino)-2-(2H-tetrazol-5-yl)prop-2-enenitrile
Property Insights of 3-(2,4-difluoroanilino)-2-(2H-tetrazol-5-yl)prop-2-enenitrile
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,4-difluoroanilino)-2-(2H-tetrazol-5-yl)prop-2-enenitrile. The TPSA of 90.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2,4-difluoroanilino)-2-(2H-tetrazol-5-yl)prop-2-enenitrile. Following Lipinski's Rule of Five, 3-(2,4-difluoroanilino)-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
What is the CAS number of 3-(2,4-difluoroanilino)-2-(2H-tetrazol-5-yl)prop-2-enenitrile?
The CAS number of 3-(2,4-difluoroanilino)-2-(2H-tetrazol-5-yl)prop-2-enenitrile is 1025649-05-1.
What is the molecular formula of 3-(2,4-difluoroanilino)-2-(2H-tetrazol-5-yl)prop-2-enenitrile?
The molecular formula of 3-(2,4-difluoroanilino)-2-(2H-tetrazol-5-yl)prop-2-enenitrile is C10H6F2N6.
What is the molecular weight of 3-(2,4-difluoroanilino)-2-(2H-tetrazol-5-yl)prop-2-enenitrile?
The molecular weight of 3-(2,4-difluoroanilino)-2-(2H-tetrazol-5-yl)prop-2-enenitrile is 248.0622 g/mol.
Where can I buy 3-(2,4-difluoroanilino)-2-(2H-tetrazol-5-yl)prop-2-enenitrile?
You can request a quote for 3-(2,4-difluoroanilino)-2-(2H-tetrazol-5-yl)prop-2-enenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(2,4-difluoroanilino)-2-(2H-tetrazol-5-yl)prop-2-enenitrile?
Yes, CoreyChem provides custom synthesis services for 3-(2,4-difluoroanilino)-2-(2H-tetrazol-5-yl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.