A3963/0168916
TL;DR: A3963/0168916 (CAS 618441-57-9) is a chemical compound with molecular formula C26H20Cl2N6OS2 and molecular weight 566.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(4-chloroanilino)methyl]-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
Also Known As: A3963/0168916, 2-((4-(4-Chlorophenyl)-5-(((4-chlorophenyl)amino)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-phenylthiazol-2-yl)acetamide, 2-{[4-(4-chlorophenyl)-5-{[(4-chlorophenyl)amino]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenyl-1,3-thiazol-2-yl)acetamide, 2-{[5-[(4-CHLOROANILINO)METHYL]-4-(4-CHLOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-(4-PHENYL-1,3-THIAZOL-2-YL)ACETAMIDE, 2-((5-((4-Chloroanilino)methyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(4-phenyl-1,3-thiazol-2-YL)acetamide
| Molecular Formula | C26H20Cl2N6OS2 |
|---|---|
| Molecular Weight | 566.05 g/mol |
| LogP | 7.0405 |
| Topological Polar Surface Area | 84.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 566.0517 |
| Heavy Atoms | 37 |
| Complexity | 1488.0599 |
Chemical Identifiers
| CAS Number | 618441-57-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CSC3=NN=C(N3C4=CC=C(C=C4)Cl)CNC5=CC=C(C=C5)Cl |
Product Overview
A3963/0168916 (CAS 618441-57-9), with molecular formula C26H20Cl2N6OS2 and molecular weight 566.05 g/mol. IUPAC: 2-[[5-[(4-chloroanilino)methyl]-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.
Chemical Property Profile of A3963/0168916
Property Insights of A3963/0168916
The XLogP value of 7.0405 indicates that A3963/0168916 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.73 Ų falls within the moderate polarity range, balancing permeability and solubility for A3963/0168916. Following Lipinski's Rule of Five, A3963/0168916 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3963/0168916?
The CAS number of A3963/0168916 is 618441-57-9.
What is the molecular formula of A3963/0168916?
The molecular formula of A3963/0168916 is C26H20Cl2N6OS2.
What is the molecular weight of A3963/0168916?
The molecular weight of A3963/0168916 is 566.05 g/mol.
Where can I buy A3963/0168916?
You can request a quote for A3963/0168916 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3963/0168916?
Yes, KEHONG BIO provides custom synthesis services for A3963/0168916 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.