(Z)-4-(azepan-1-yl)-1,1,1-trifluoro-3-(1-phenyltetrazol-5-yl)but-3-en-2-one
TL;DR: (Z)-4-(azepan-1-yl)-1,1,1-trifluoro-3-(1-phenyltetrazol-5-yl)but-3-en-2-one (CAS 152427-09-3) is a chemical compound with molecular formula C17H18F3N5O and molecular weight 365.14633 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-4-(azepan-1-yl)-1,1,1-trifluoro-3-(1-phenyltetrazol-5-yl)but-3-en-2-one
Also Known As: (Z)-4-(azepan-1-yl)-1,1,1-trifluoro-3-(1-phenyltetrazol-5-yl)but-3-en-2-one, 4-(azepan-1-yl)-1,1,1-trifluoro-3-(1-phenyl-1,2,3,4-tetrazol-5-yl)but-3-en-2-one, 4-(azepan-1-yl)-1,1,1-trifluoro-3-(1-phenyltetrazol-5-yl)but-3-en-2-one, 4-azepan-1-yl-1,1,1-trifluoro-3-(1-phenyl-1H-1,2,3,4-tetraazol-5-yl)but-3-en-2-one, (3Z)-4-azaperhydroepinyl-1,1,1-trifluoro-3-(1-phenyl(1,2,3,4-tetraazol-5-yl))b ut-3-en-2-one
Technical Specifications
| Molecular Formula | C17H18F3N5O |
| Molecular Weight | 365.14633 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 63.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 365.14633 Da |
| Heavy Atoms | 26 |
| Complexity | 511.0 |
| SMILES | C1CCCN(CC1)/C=C(/C2=NN=NN2C3=CC=CC=C3)\C(=O)C(F)(F)F |
| InChIKey | WREDDYBFGIVHTA-WYMLVPIESA-N |
Chemical Property Profile of (Z)-4-(azepan-1-yl)-1,1,1-trifluoro-3-(1-phenyltetrazol-5-yl)but-3-en-2-one
Property Insights of (Z)-4-(azepan-1-yl)-1,1,1-trifluoro-3-(1-phenyltetrazol-5-yl)but-3-en-2-one
The XLogP value of 3.6 indicates that (Z)-4-(azepan-1-yl)-1,1,1-trifluoro-3-(1-phenyltetrazol-5-yl)but-3-en-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-4-(azepan-1-yl)-1,1,1-trifluoro-3-(1-phenyltetrazol-5-yl)but-3-en-2-one. Following Lipinski's Rule of Five, (Z)-4-(azepan-1-yl)-1,1,1-trifluoro-3-(1-phenyltetrazol-5-yl)but-3-en-2-one has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (Z)-4-(azepan-1-yl)-1,1,1-trifluoro-3-(1-phenyltetrazol-5-yl)but-3-en-2-one?
The CAS number of (Z)-4-(azepan-1-yl)-1,1,1-trifluoro-3-(1-phenyltetrazol-5-yl)but-3-en-2-one is 152427-09-3.
What is the molecular formula of (Z)-4-(azepan-1-yl)-1,1,1-trifluoro-3-(1-phenyltetrazol-5-yl)but-3-en-2-one?
The molecular formula of (Z)-4-(azepan-1-yl)-1,1,1-trifluoro-3-(1-phenyltetrazol-5-yl)but-3-en-2-one is C17H18F3N5O.
What is the molecular weight of (Z)-4-(azepan-1-yl)-1,1,1-trifluoro-3-(1-phenyltetrazol-5-yl)but-3-en-2-one?
The molecular weight of (Z)-4-(azepan-1-yl)-1,1,1-trifluoro-3-(1-phenyltetrazol-5-yl)but-3-en-2-one is 365.14633 g/mol.
Where can I buy (Z)-4-(azepan-1-yl)-1,1,1-trifluoro-3-(1-phenyltetrazol-5-yl)but-3-en-2-one?
You can request a quote for (Z)-4-(azepan-1-yl)-1,1,1-trifluoro-3-(1-phenyltetrazol-5-yl)but-3-en-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (Z)-4-(azepan-1-yl)-1,1,1-trifluoro-3-(1-phenyltetrazol-5-yl)but-3-en-2-one?
Yes, CoreyChem provides custom synthesis services for (Z)-4-(azepan-1-yl)-1,1,1-trifluoro-3-(1-phenyltetrazol-5-yl)but-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.