![1,1,1-trichloro-4-(dimethylamino)-3-[1-(4-fluorophenyl)-1H-1,2,3,4-tetraazol-5-yl]but-3-en-2-one structure](/static/products/1524/152427-14-0.webp)
1,1,1-trichloro-4-(dimethylamino)-3-[1-(4-fluorophenyl)-1H-1,2,3,4-tetraazol-5-yl]but-3-en-2-one
TL;DR: 1,1,1-trichloro-4-(dimethylamino)-3-[1-(4-fluorophenyl)-1H-1,2,3,4-tetraazol-5-yl]but-3-en-2-one (CAS 152427-14-0) is a chemical compound with molecular formula C13H11Cl3FN5O and molecular weight 377.0013 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-1,1,1-trichloro-4-(dimethylamino)-3-[1-(4-fluorophenyl)tetrazol-5-yl]but-3-en-2-one
Also Known As: 1,1,1-trichloro-4-(dimethylamino)-3-[1-(4-fluorophenyl)-1H-1,2,3,4-tetraazol-5-yl]but-3-en-2-one, (Z)-1,1,1-trichloro-4-(dimethylamino)-3-[1-(4-fluorophenyl)tetrazol-5-yl]but-3-en-2-one, 1,1,1-trichloro-4-dimethylamino-3-[1-(4-fluorophenyl)tetrazol-5-yl]but-3-en-2-one, (3Z)-4-(dimethylamino)-1,1,1-trichloro-3-[1-(4-fluorophenyl)(1,2,3,4-tetraazol -5-yl)]but-3-en-2-one, 1,1,1-trichloro-4-(dimethylamino)-3-[1-(4-fluorophenyl)-1,2,3,4-tetrazol-5-yl]but-3-en-2-one
Technical Specifications
| Molecular Formula | C13H11Cl3FN5O |
| Molecular Weight | 377.0013 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 63.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.0013 Da |
| Heavy Atoms | 23 |
| Complexity | 463.0 |
| SMILES | CN(C)/C=C(/C1=NN=NN1C2=CC=C(C=C2)F)\C(=O)C(Cl)(Cl)Cl |
| InChIKey | NYTQLUGUBBLIPV-JXMROGBWSA-N |
Chemical Property Profile of 1,1,1-trichloro-4-(dimethylamino)-3-[1-(4-fluorophenyl)-1H-1,2,3,4-tetraazol-5-yl]but-3-en-2-one
Property Insights of 1,1,1-trichloro-4-(dimethylamino)-3-[1-(4-fluorophenyl)-1H-1,2,3,4-tetraazol-5-yl]but-3-en-2-one
The XLogP value of 3.2 indicates that 1,1,1-trichloro-4-(dimethylamino)-3-[1-(4-fluorophenyl)-1H-1,2,3,4-tetraazol-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 1,1,1-trichloro-4-(dimethylamino)-3-[1-(4-fluorophenyl)-1H-1,2,3,4-tetraazol-5-yl]but-3-en-2-one. Following Lipinski's Rule of Five, 1,1,1-trichloro-4-(dimethylamino)-3-[1-(4-fluorophenyl)-1H-1,2,3,4-tetraazol-5-yl]but-3-en-2-one has 0 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 1,1,1-trichloro-4-(dimethylamino)-3-[1-(4-fluorophenyl)-1H-1,2,3,4-tetraazol-5-yl]but-3-en-2-one?
The CAS number of 1,1,1-trichloro-4-(dimethylamino)-3-[1-(4-fluorophenyl)-1H-1,2,3,4-tetraazol-5-yl]but-3-en-2-one is 152427-14-0.
What is the molecular formula of 1,1,1-trichloro-4-(dimethylamino)-3-[1-(4-fluorophenyl)-1H-1,2,3,4-tetraazol-5-yl]but-3-en-2-one?
The molecular formula of 1,1,1-trichloro-4-(dimethylamino)-3-[1-(4-fluorophenyl)-1H-1,2,3,4-tetraazol-5-yl]but-3-en-2-one is C13H11Cl3FN5O.
What is the molecular weight of 1,1,1-trichloro-4-(dimethylamino)-3-[1-(4-fluorophenyl)-1H-1,2,3,4-tetraazol-5-yl]but-3-en-2-one?
The molecular weight of 1,1,1-trichloro-4-(dimethylamino)-3-[1-(4-fluorophenyl)-1H-1,2,3,4-tetraazol-5-yl]but-3-en-2-one is 377.0013 g/mol.
Where can I buy 1,1,1-trichloro-4-(dimethylamino)-3-[1-(4-fluorophenyl)-1H-1,2,3,4-tetraazol-5-yl]but-3-en-2-one?
You can request a quote for 1,1,1-trichloro-4-(dimethylamino)-3-[1-(4-fluorophenyl)-1H-1,2,3,4-tetraazol-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 1,1,1-trichloro-4-(dimethylamino)-3-[1-(4-fluorophenyl)-1H-1,2,3,4-tetraazol-5-yl]but-3-en-2-one?
Yes, CoreyChem provides custom synthesis services for 1,1,1-trichloro-4-(dimethylamino)-3-[1-(4-fluorophenyl)-1H-1,2,3,4-tetraazol-5-yl]but-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.