1-(4-Chlorophenyl)-2-((4-(4-chlorophenyl)-5-((phenylamino)methyl)-4H-1,2,4-triazol-3-yl)thio)ethanone
TL;DR: 1-(4-Chlorophenyl)-2-((4-(4-chlorophenyl)-5-((phenylamino)methyl)-4H-1,2,4-triazol-3-yl)thio)ethanone (CAS 618441-35-3) is a chemical compound with molecular formula C23H18Cl2N4OS and molecular weight 468.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(anilinomethyl)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-chlorophenyl)ethanone
Also Known As: 1-(4-Chlorophenyl)-2-((4-(4-chlorophenyl)-5-((phenylamino)methyl)-4H-1,2,4-triazol-3-yl)thio)ethanone, 2-[[5-(anilinomethyl)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-chlorophenyl)ethanone, 2-{[5-(ANILINOMETHYL)-4-(4-CHLOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-1-(4-CHLOROPHENYL)ETHANONE, 2-((5-(ANILINOMETHYL)-4-(4-CHLOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-1-(4-CHLOROPHENYL)ETHANONE, 644-760-7
| Molecular Formula | C23H18Cl2N4OS |
|---|---|
| Molecular Weight | 468.06 g/mol |
| LogP | 6.1612 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 468.05783 |
| Heavy Atoms | 31 |
| Complexity | 1162.673 |
Chemical Identifiers
| CAS Number | 618441-35-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)NCC2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)C4=CC=C(C=C4)Cl |
Product Overview
1-(4-Chlorophenyl)-2-((4-(4-chlorophenyl)-5-((phenylamino)methyl)-4H-1,2,4-triazol-3-yl)thio)ethanone (CAS 618441-35-3), with molecular formula C23H18Cl2N4OS and molecular weight 468.06 g/mol. IUPAC: 2-[[5-(anilinomethyl)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-chlorophenyl)ethanone.
Chemical Property Profile of 1-(4-Chlorophenyl)-2-((4-(4-chlorophenyl)-5-((phenylamino)methyl)-4H-1,2,4-triazol-3-yl)thio)ethanone
Property Insights of 1-(4-Chlorophenyl)-2-((4-(4-chlorophenyl)-5-((phenylamino)methyl)-4H-1,2,4-triazol-3-yl)thio)ethanone
The XLogP value of 6.1612 indicates that 1-(4-Chlorophenyl)-2-((4-(4-chlorophenyl)-5-((phenylamino)methyl)-4H-1,2,4-triazol-3-yl)thio)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, 1-(4-Chlorophenyl)-2-((4-(4-chlorophenyl)-5-((phenylamino)methyl)-4H-1,2,4-triazol-3-yl)thio)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)-2-((4-(4-chlorophenyl)-5-((phenylamino)methyl)-4H-1,2,4-triazol-3-yl)thio)ethanone has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-Chlorophenyl)-2-((4-(4-chlorophenyl)-5-((phenylamino)methyl)-4H-1,2,4-triazol-3-yl)thio)ethanone?
The CAS number of 1-(4-Chlorophenyl)-2-((4-(4-chlorophenyl)-5-((phenylamino)methyl)-4H-1,2,4-triazol-3-yl)thio)ethanone is 618441-35-3.
What is the molecular formula of 1-(4-Chlorophenyl)-2-((4-(4-chlorophenyl)-5-((phenylamino)methyl)-4H-1,2,4-triazol-3-yl)thio)ethanone?
The molecular formula of 1-(4-Chlorophenyl)-2-((4-(4-chlorophenyl)-5-((phenylamino)methyl)-4H-1,2,4-triazol-3-yl)thio)ethanone is C23H18Cl2N4OS.
What is the molecular weight of 1-(4-Chlorophenyl)-2-((4-(4-chlorophenyl)-5-((phenylamino)methyl)-4H-1,2,4-triazol-3-yl)thio)ethanone?
The molecular weight of 1-(4-Chlorophenyl)-2-((4-(4-chlorophenyl)-5-((phenylamino)methyl)-4H-1,2,4-triazol-3-yl)thio)ethanone is 468.06 g/mol.
Where can I buy 1-(4-Chlorophenyl)-2-((4-(4-chlorophenyl)-5-((phenylamino)methyl)-4H-1,2,4-triazol-3-yl)thio)ethanone?
You can request a quote for 1-(4-Chlorophenyl)-2-((4-(4-chlorophenyl)-5-((phenylamino)methyl)-4H-1,2,4-triazol-3-yl)thio)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chlorophenyl)-2-((4-(4-chlorophenyl)-5-((phenylamino)methyl)-4H-1,2,4-triazol-3-yl)thio)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorophenyl)-2-((4-(4-chlorophenyl)-5-((phenylamino)methyl)-4H-1,2,4-triazol-3-yl)thio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.