1-(2,4-difluorophenyl)-3-(dimethylamino)-2-(1-phenyl-1H-tetraazol-5-yl)-2-propen-1-one
TL;DR: 1-(2,4-difluorophenyl)-3-(dimethylamino)-2-(1-phenyl-1H-tetraazol-5-yl)-2-propen-1-one (CAS 1164558-55-7) is a chemical compound with molecular formula C18H15F2N5O and molecular weight 355.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-1-(2,4-difluorophenyl)-3-(dimethylamino)-2-(1-phenyltetrazol-5-yl)prop-2-en-1-one
Also Known As: 1-(2,4-difluorophenyl)-3-(dimethylamino)-2-(1-phenyl-1H-tetraazol-5-yl)-2-propen-1-one, (Z)-1-(2,4-difluorophenyl)-3-(dimethylamino)-2-(1-phenyltetrazol-5-yl)prop-2-en-1-one, (2Z)-1-(2,4-difluorophenyl)-3-(dimethylamino)-2-(1-phenyl(1,2,3,4-tetraazol-5- yl))prop-2-en-1-one
| Molecular Formula | C18H15F2N5O |
|---|---|
| Molecular Weight | 355.12 g/mol |
| LogP | 2.7259 |
| Topological Polar Surface Area | 63.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 355.12448 |
| Heavy Atoms | 26 |
| Complexity | 966.7226 |
Chemical Identifiers
| CAS Number | 1164558-55-7 |
|---|---|
| SMILES | CN(C)/C=C(/C1=NN=NN1C2=CC=CC=C2)\C(=O)C3=C(C=C(C=C3)F)F |
Product Overview
1-(2,4-difluorophenyl)-3-(dimethylamino)-2-(1-phenyl-1H-tetraazol-5-yl)-2-propen-1-one (CAS 1164558-55-7), with molecular formula C18H15F2N5O and molecular weight 355.12 g/mol. IUPAC: (Z)-1-(2,4-difluorophenyl)-3-(dimethylamino)-2-(1-phenyltetrazol-5-yl)prop-2-en-1-one.
Chemical Property Profile of 1-(2,4-difluorophenyl)-3-(dimethylamino)-2-(1-phenyl-1H-tetraazol-5-yl)-2-propen-1-one
Property Insights of 1-(2,4-difluorophenyl)-3-(dimethylamino)-2-(1-phenyl-1H-tetraazol-5-yl)-2-propen-1-one
The XLogP value of 2.7259 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,4-difluorophenyl)-3-(dimethylamino)-2-(1-phenyl-1H-tetraazol-5-yl)-2-propen-1-one. The TPSA of 63.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,4-difluorophenyl)-3-(dimethylamino)-2-(1-phenyl-1H-tetraazol-5-yl)-2-propen-1-one. Following Lipinski's Rule of Five, 1-(2,4-difluorophenyl)-3-(dimethylamino)-2-(1-phenyl-1H-tetraazol-5-yl)-2-propen-1-one has 0 hydrogen bond donor(s) and 5 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 1-(2,4-difluorophenyl)-3-(dimethylamino)-2-(1-phenyl-1H-tetraazol-5-yl)-2-propen-1-one?
The CAS number of 1-(2,4-difluorophenyl)-3-(dimethylamino)-2-(1-phenyl-1H-tetraazol-5-yl)-2-propen-1-one is 1164558-55-7.
What is the molecular formula of 1-(2,4-difluorophenyl)-3-(dimethylamino)-2-(1-phenyl-1H-tetraazol-5-yl)-2-propen-1-one?
The molecular formula of 1-(2,4-difluorophenyl)-3-(dimethylamino)-2-(1-phenyl-1H-tetraazol-5-yl)-2-propen-1-one is C18H15F2N5O.
What is the molecular weight of 1-(2,4-difluorophenyl)-3-(dimethylamino)-2-(1-phenyl-1H-tetraazol-5-yl)-2-propen-1-one?
The molecular weight of 1-(2,4-difluorophenyl)-3-(dimethylamino)-2-(1-phenyl-1H-tetraazol-5-yl)-2-propen-1-one is 355.12 g/mol.
Where can I buy 1-(2,4-difluorophenyl)-3-(dimethylamino)-2-(1-phenyl-1H-tetraazol-5-yl)-2-propen-1-one?
You can request a quote for 1-(2,4-difluorophenyl)-3-(dimethylamino)-2-(1-phenyl-1H-tetraazol-5-yl)-2-propen-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,4-difluorophenyl)-3-(dimethylamino)-2-(1-phenyl-1H-tetraazol-5-yl)-2-propen-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,4-difluorophenyl)-3-(dimethylamino)-2-(1-phenyl-1H-tetraazol-5-yl)-2-propen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.