![2-(2H-1,2,3,4-tetrazol-5-yl)-3-{[4-(trifluoromethoxy)phenyl]amino}prop-2-enenitrile structure](/static/products/1020/1020252-67-8.webp)
2-(2H-1,2,3,4-tetrazol-5-yl)-3-{[4-(trifluoromethoxy)phenyl]amino}prop-2-enenitrile
TL;DR: 2-(2H-1,2,3,4-tetrazol-5-yl)-3-{[4-(trifluoromethoxy)phenyl]amino}prop-2-enenitrile (CAS 1020252-67-8) is a chemical compound with molecular formula C11H7F3N6O and molecular weight 296.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2H-tetrazol-5-yl)-3-[4-(trifluoromethoxy)anilino]prop-2-enenitrile
Also Known As: 2-(2H-1,2,3,4-tetrazol-5-yl)-3-{[4-(trifluoromethoxy)phenyl]amino}prop-2-enenitrile, 2-(1H-Tetrazol-5-yl)-3-[4-(trifluoromethoxy)anilino]prop-2-enenitrile, 2-(2H-tetrazol-5-yl)-3-[4-(trifluoromethoxy)anilino]prop-2-enenitrile, (Z)-2-(1H-1,2,3,4-tetraazol-5-yl)-3-[4-(trifluoromethoxy)anilino]-2-propenenitrile, 2-(2H-2,3,4,5-TETRAAZOLYL)-3-((4-(TRIFLUOROMETHOXY)PHENYL)AMINO)PROP-2-ENENITRILE
| Molecular Formula | C11H7F3N6O |
|---|---|
| Molecular Weight | 296.06 g/mol |
| LogP | 2.07488 |
| Topological Polar Surface Area | 99.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.06335 |
| Heavy Atoms | 21 |
| Complexity | 656.75726 |
Chemical Identifiers
| CAS Number | 1020252-67-8 |
|---|---|
| SMILES | C1=CC(=CC=C1NC=C(C#N)C2=NNN=N2)OC(F)(F)F |
Product Overview
2-(2H-1,2,3,4-tetrazol-5-yl)-3-{[4-(trifluoromethoxy)phenyl]amino}prop-2-enenitrile (CAS 1020252-67-8), with molecular formula C11H7F3N6O and molecular weight 296.06 g/mol. IUPAC: 2-(2H-tetrazol-5-yl)-3-[4-(trifluoromethoxy)anilino]prop-2-enenitrile.
Chemical Property Profile of 2-(2H-1,2,3,4-tetrazol-5-yl)-3-{[4-(trifluoromethoxy)phenyl]amino}prop-2-enenitrile
Property Insights of 2-(2H-1,2,3,4-tetrazol-5-yl)-3-{[4-(trifluoromethoxy)phenyl]amino}prop-2-enenitrile
The XLogP value of 2.07488 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2H-1,2,3,4-tetrazol-5-yl)-3-{[4-(trifluoromethoxy)phenyl]amino}prop-2-enenitrile. The TPSA of 99.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2H-1,2,3,4-tetrazol-5-yl)-3-{[4-(trifluoromethoxy)phenyl]amino}prop-2-enenitrile. Following Lipinski's Rule of Five, 2-(2H-1,2,3,4-tetrazol-5-yl)-3-{[4-(trifluoromethoxy)phenyl]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
Frequently Asked Questions
What is the CAS number of 2-(2H-1,2,3,4-tetrazol-5-yl)-3-{[4-(trifluoromethoxy)phenyl]amino}prop-2-enenitrile?
The CAS number of 2-(2H-1,2,3,4-tetrazol-5-yl)-3-{[4-(trifluoromethoxy)phenyl]amino}prop-2-enenitrile is 1020252-67-8.
What is the molecular formula of 2-(2H-1,2,3,4-tetrazol-5-yl)-3-{[4-(trifluoromethoxy)phenyl]amino}prop-2-enenitrile?
The molecular formula of 2-(2H-1,2,3,4-tetrazol-5-yl)-3-{[4-(trifluoromethoxy)phenyl]amino}prop-2-enenitrile is C11H7F3N6O.
What is the molecular weight of 2-(2H-1,2,3,4-tetrazol-5-yl)-3-{[4-(trifluoromethoxy)phenyl]amino}prop-2-enenitrile?
The molecular weight of 2-(2H-1,2,3,4-tetrazol-5-yl)-3-{[4-(trifluoromethoxy)phenyl]amino}prop-2-enenitrile is 296.06 g/mol.
Where can I buy 2-(2H-1,2,3,4-tetrazol-5-yl)-3-{[4-(trifluoromethoxy)phenyl]amino}prop-2-enenitrile?
You can request a quote for 2-(2H-1,2,3,4-tetrazol-5-yl)-3-{[4-(trifluoromethoxy)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-1,2,3,4-tetrazol-5-yl)-3-{[4-(trifluoromethoxy)phenyl]amino}prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2H-1,2,3,4-tetrazol-5-yl)-3-{[4-(trifluoromethoxy)phenyl]amino}prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.