![3-[1-(4-bromophenyl)-1H-1,2,3,4-tetraazol-5-yl]-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one structure](/static/products/1524/152427-03-7.webp)
3-[1-(4-bromophenyl)-1H-1,2,3,4-tetraazol-5-yl]-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one
TL;DR: 3-[1-(4-bromophenyl)-1H-1,2,3,4-tetraazol-5-yl]-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one (CAS 152427-03-7) is a chemical compound with molecular formula C13H11BrF3N5O and molecular weight 389.00992 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-3-[1-(4-bromophenyl)tetrazol-5-yl]-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one
Also Known As: 3-[1-(4-bromophenyl)-1H-1,2,3,4-tetraazol-5-yl]-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one, (Z)-3-[1-(4-bromophenyl)tetrazol-5-yl]-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one, 3-[1-(4-bromophenyl)tetrazol-5-yl]-4-dimethylamino-1,1,1-trifluoro-but-3-en-2-one, (3Z)-4-(dimethylamino)-3-[1-(4-bromophenyl)(1,2,3,4-tetraazol-5-yl)]-1,1,1-tri fluorobut-3-en-2-one, 3-[1-(4-bromophenyl)-1,2,3,4-tetrazol-5-yl]-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one
Technical Specifications
| Molecular Formula | C13H11BrF3N5O |
| Molecular Weight | 389.00992 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 63.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.00992 Da |
| Heavy Atoms | 23 |
| Complexity | 463.0 |
| SMILES | CN(C)/C=C(/C1=NN=NN1C2=CC=C(C=C2)Br)\C(=O)C(F)(F)F |
| InChIKey | CQSIKSZGAGTGPD-JXMROGBWSA-N |
Chemical Property Profile of 3-[1-(4-bromophenyl)-1H-1,2,3,4-tetraazol-5-yl]-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one
Property Insights of 3-[1-(4-bromophenyl)-1H-1,2,3,4-tetraazol-5-yl]-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one
The XLogP value of 3.1 indicates that 3-[1-(4-bromophenyl)-1H-1,2,3,4-tetraazol-5-yl]-4-(dimethylamino)-1,1,1-trifluorobut-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 3-[1-(4-bromophenyl)-1H-1,2,3,4-tetraazol-5-yl]-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one. Following Lipinski's Rule of Five, 3-[1-(4-bromophenyl)-1H-1,2,3,4-tetraazol-5-yl]-4-(dimethylamino)-1,1,1-trifluorobut-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 3-[1-(4-bromophenyl)-1H-1,2,3,4-tetraazol-5-yl]-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one?
The CAS number of 3-[1-(4-bromophenyl)-1H-1,2,3,4-tetraazol-5-yl]-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one is 152427-03-7.
What is the molecular formula of 3-[1-(4-bromophenyl)-1H-1,2,3,4-tetraazol-5-yl]-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one?
The molecular formula of 3-[1-(4-bromophenyl)-1H-1,2,3,4-tetraazol-5-yl]-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one is C13H11BrF3N5O.
What is the molecular weight of 3-[1-(4-bromophenyl)-1H-1,2,3,4-tetraazol-5-yl]-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one?
The molecular weight of 3-[1-(4-bromophenyl)-1H-1,2,3,4-tetraazol-5-yl]-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one is 389.00992 g/mol.
Where can I buy 3-[1-(4-bromophenyl)-1H-1,2,3,4-tetraazol-5-yl]-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one?
You can request a quote for 3-[1-(4-bromophenyl)-1H-1,2,3,4-tetraazol-5-yl]-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[1-(4-bromophenyl)-1H-1,2,3,4-tetraazol-5-yl]-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one?
Yes, CoreyChem provides custom synthesis services for 3-[1-(4-bromophenyl)-1H-1,2,3,4-tetraazol-5-yl]-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.