2,4-dichloro-N-((5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide
TL;DR: 2,4-dichloro-N-((5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide (CAS 393871-08-4) is a chemical compound with molecular formula C21H16Cl2N6O2S2 and molecular weight 518.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dichloro-N-[[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: 2,4-dichloro-N-((5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide, F0721-0296, 2,4-dichloro-N-[[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide, 2,4-dichloro-N-{[4-phenyl-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
| Molecular Formula | C21H16Cl2N6O2S2 |
|---|---|
| Molecular Weight | 518.02 g/mol |
| LogP | 4.6914 |
| Topological Polar Surface Area | 101.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 518.0153 |
| Heavy Atoms | 33 |
| Complexity | 1265.2677 |
Chemical Identifiers
| CAS Number | 393871-08-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=NC=CS3)CNC(=O)C4=C(C=C(C=C4)Cl)Cl |
Product Overview
2,4-dichloro-N-((5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide (CAS 393871-08-4), with molecular formula C21H16Cl2N6O2S2 and molecular weight 518.02 g/mol. IUPAC: 2,4-dichloro-N-[[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of 2,4-dichloro-N-((5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide
Property Insights of 2,4-dichloro-N-((5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide
The XLogP value of 4.6914 indicates that 2,4-dichloro-N-((5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-dichloro-N-((5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide. Following Lipinski's Rule of Five, 2,4-dichloro-N-((5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide 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 2,4-dichloro-N-((5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide?
The CAS number of 2,4-dichloro-N-((5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide is 393871-08-4.
What is the molecular formula of 2,4-dichloro-N-((5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide?
The molecular formula of 2,4-dichloro-N-((5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide is C21H16Cl2N6O2S2.
What is the molecular weight of 2,4-dichloro-N-((5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide?
The molecular weight of 2,4-dichloro-N-((5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide is 518.02 g/mol.
Where can I buy 2,4-dichloro-N-((5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide?
You can request a quote for 2,4-dichloro-N-((5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-dichloro-N-((5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2,4-dichloro-N-((5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.