Tetrazole, 1-phenyl-5-(4-fluorobenzoylmethylthio)-
TL;DR: Tetrazole, 1-phenyl-5-(4-fluorobenzoylmethylthio)- (CAS 296273-83-1) is a chemical compound with molecular formula C15H11FN4OS and molecular weight 314.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
Also Known As: Tetrazole, 1-phenyl-5-(4-fluorobenzoylmethylthio)-, BAS 00394951, 1-(4-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone, AI-204/31688060, 1-(4-Fluorophenyl)-2-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]ethanone
| Molecular Formula | C15H11FN4OS |
|---|---|
| Molecular Weight | 314.06 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 86.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.06375 |
| Heavy Atoms | 22 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 296273-83-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)C3=CC=C(C=C3)F |
| InChIKey | SEAATSLGECTGKQ-UHFFFAOYSA-N |
Product Overview
Tetrazole, 1-phenyl-5-(4-fluorobenzoylmethylthio)- (CAS 296273-83-1), with molecular formula C15H11FN4OS and molecular weight 314.06 g/mol. IUPAC: 1-(4-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone.
Chemical Property Profile of Tetrazole, 1-phenyl-5-(4-fluorobenzoylmethylthio)-
Property Insights of Tetrazole, 1-phenyl-5-(4-fluorobenzoylmethylthio)-
The XLogP value of 3.6 indicates that Tetrazole, 1-phenyl-5-(4-fluorobenzoylmethylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Tetrazole, 1-phenyl-5-(4-fluorobenzoylmethylthio)-. Following Lipinski's Rule of Five, Tetrazole, 1-phenyl-5-(4-fluorobenzoylmethylthio)- 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
Frequently Asked Questions
What is the CAS number of Tetrazole, 1-phenyl-5-(4-fluorobenzoylmethylthio)-?
The CAS number of Tetrazole, 1-phenyl-5-(4-fluorobenzoylmethylthio)- is 296273-83-1.
What is the molecular formula of Tetrazole, 1-phenyl-5-(4-fluorobenzoylmethylthio)-?
The molecular formula of Tetrazole, 1-phenyl-5-(4-fluorobenzoylmethylthio)- is C15H11FN4OS.
What is the molecular weight of Tetrazole, 1-phenyl-5-(4-fluorobenzoylmethylthio)-?
The molecular weight of Tetrazole, 1-phenyl-5-(4-fluorobenzoylmethylthio)- is 314.06 g/mol.
Where can I buy Tetrazole, 1-phenyl-5-(4-fluorobenzoylmethylthio)-?
You can request a quote for Tetrazole, 1-phenyl-5-(4-fluorobenzoylmethylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetrazole, 1-phenyl-5-(4-fluorobenzoylmethylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Tetrazole, 1-phenyl-5-(4-fluorobenzoylmethylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.