Methanone, (5-chloro-2-(((4,5-dihydro-4-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl)methyl)amino)phenyl)phenyl-
TL;DR: Methanone, (5-chloro-2-(((4,5-dihydro-4-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl)methyl)amino)phenyl)phenyl- (CAS 111070-78-1) is a chemical compound with molecular formula C24H21ClN4O2S and molecular weight 464.10736 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[5-chloro-2-[[4-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methylamino]phenyl]-phenylmethanone
Also Known As: Methanone, (5-chloro-2-(((4,5-dihydro-4-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl)methyl)amino)phenyl)phenyl-, [5-Chloro-2-({[4-(4-ethoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}amino)phenyl](phenyl)methanone, [5-chloro-2-[[4-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methylamino]phenyl]-phenylmethanone
Technical Specifications
| Molecular Formula | C24H21ClN4O2S |
| Molecular Weight | 464.10736 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 98.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 464.10736 Da |
| Heavy Atoms | 32 |
| Complexity | 691.0 |
| SMILES | CCOC1=CC=C(C=C1)N2C(=NNC2=S)CNC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4 |
| InChIKey | KJINVGBULZLOEL-UHFFFAOYSA-N |
Chemical Property Profile of Methanone, (5-chloro-2-(((4,5-dihydro-4-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl)methyl)amino)phenyl)phenyl-
Property Insights of Methanone, (5-chloro-2-(((4,5-dihydro-4-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl)methyl)amino)phenyl)phenyl-
The XLogP value of 6.1 indicates that Methanone, (5-chloro-2-(((4,5-dihydro-4-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl)methyl)amino)phenyl)phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methanone, (5-chloro-2-(((4,5-dihydro-4-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl)methyl)amino)phenyl)phenyl-. Following Lipinski's Rule of Five, Methanone, (5-chloro-2-(((4,5-dihydro-4-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl)methyl)amino)phenyl)phenyl- has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Methanone, (5-chloro-2-(((4,5-dihydro-4-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl)methyl)amino)phenyl)phenyl-?
The CAS number of Methanone, (5-chloro-2-(((4,5-dihydro-4-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl)methyl)amino)phenyl)phenyl- is 111070-78-1.
What is the molecular formula of Methanone, (5-chloro-2-(((4,5-dihydro-4-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl)methyl)amino)phenyl)phenyl-?
The molecular formula of Methanone, (5-chloro-2-(((4,5-dihydro-4-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl)methyl)amino)phenyl)phenyl- is C24H21ClN4O2S.
What is the molecular weight of Methanone, (5-chloro-2-(((4,5-dihydro-4-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl)methyl)amino)phenyl)phenyl-?
The molecular weight of Methanone, (5-chloro-2-(((4,5-dihydro-4-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl)methyl)amino)phenyl)phenyl- is 464.10736 g/mol.
Where can I buy Methanone, (5-chloro-2-(((4,5-dihydro-4-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl)methyl)amino)phenyl)phenyl-?
You can request a quote for Methanone, (5-chloro-2-(((4,5-dihydro-4-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl)methyl)amino)phenyl)phenyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methanone, (5-chloro-2-(((4,5-dihydro-4-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl)methyl)amino)phenyl)phenyl-?
Yes, CoreyChem provides custom synthesis services for Methanone, (5-chloro-2-(((4,5-dihydro-4-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl)methyl)amino)phenyl)phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.