Acetophenone, 4'-bromo-2-(5-(3,4,5-trimethoxyphenyl)-s-triazol-3-yl)thio-
TL;DR: Acetophenone, 4'-bromo-2-(5-(3,4,5-trimethoxyphenyl)-s-triazol-3-yl)thio- (CAS 140405-98-7) is a chemical compound with molecular formula C19H18BrN3O4S and molecular weight 463.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-2-[[5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: Acetophenone, 4'-bromo-2-(5-(3,4,5-trimethoxyphenyl)-s-triazol-3-yl)thio-, 1-(4-Bromophenyl)-2-((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl)thio)ethanone, Ethanone, 1-(4-bromophenyl)-2-((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl)thio)-, 3-(3,4,5-Trimethoxyphenyl)-5-[(4-bromo-beta-oxophenethyl)thio]-4H-1,2,4-triazole, Thiazolo[3,2-b][1,2,4]triazole,6-phenyl-2-(3,4,6-trimethoxyphenyl)-(9CI)
| Molecular Formula | C19H18BrN3O4S |
|---|---|
| Molecular Weight | 463.02 g/mol |
| LogP | 4.235 |
| Topological Polar Surface Area | 86.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 463.02014 |
| Heavy Atoms | 28 |
| Complexity | 950.5601 |
Chemical Identifiers
| CAS Number | 140405-98-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NC(=NN2)SCC(=O)C3=CC=C(C=C3)Br |
Product Overview
Acetophenone, 4'-bromo-2-(5-(3,4,5-trimethoxyphenyl)-s-triazol-3-yl)thio- (CAS 140405-98-7), with molecular formula C19H18BrN3O4S and molecular weight 463.02 g/mol. IUPAC: 1-(4-bromophenyl)-2-[[5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of Acetophenone, 4'-bromo-2-(5-(3,4,5-trimethoxyphenyl)-s-triazol-3-yl)thio-
Property Insights of Acetophenone, 4'-bromo-2-(5-(3,4,5-trimethoxyphenyl)-s-triazol-3-yl)thio-
The XLogP value of 4.235 indicates that Acetophenone, 4'-bromo-2-(5-(3,4,5-trimethoxyphenyl)-s-triazol-3-yl)thio- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.33 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetophenone, 4'-bromo-2-(5-(3,4,5-trimethoxyphenyl)-s-triazol-3-yl)thio-. Following Lipinski's Rule of Five, Acetophenone, 4'-bromo-2-(5-(3,4,5-trimethoxyphenyl)-s-triazol-3-yl)thio- has 1 hydrogen bond donor(s) and 7 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 Acetophenone, 4'-bromo-2-(5-(3,4,5-trimethoxyphenyl)-s-triazol-3-yl)thio-?
The CAS number of Acetophenone, 4'-bromo-2-(5-(3,4,5-trimethoxyphenyl)-s-triazol-3-yl)thio- is 140405-98-7.
What is the molecular formula of Acetophenone, 4'-bromo-2-(5-(3,4,5-trimethoxyphenyl)-s-triazol-3-yl)thio-?
The molecular formula of Acetophenone, 4'-bromo-2-(5-(3,4,5-trimethoxyphenyl)-s-triazol-3-yl)thio- is C19H18BrN3O4S.
What is the molecular weight of Acetophenone, 4'-bromo-2-(5-(3,4,5-trimethoxyphenyl)-s-triazol-3-yl)thio-?
The molecular weight of Acetophenone, 4'-bromo-2-(5-(3,4,5-trimethoxyphenyl)-s-triazol-3-yl)thio- is 463.02 g/mol.
Where can I buy Acetophenone, 4'-bromo-2-(5-(3,4,5-trimethoxyphenyl)-s-triazol-3-yl)thio-?
You can request a quote for Acetophenone, 4'-bromo-2-(5-(3,4,5-trimethoxyphenyl)-s-triazol-3-yl)thio- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetophenone, 4'-bromo-2-(5-(3,4,5-trimethoxyphenyl)-s-triazol-3-yl)thio-?
Yes, KEHONG BIO provides custom synthesis services for Acetophenone, 4'-bromo-2-(5-(3,4,5-trimethoxyphenyl)-s-triazol-3-yl)thio- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.