![2-[[4-amino-5-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide structure](/static/products/6944/694496-92-9.webp)
2-[[4-amino-5-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide
TL;DR: 2-[[4-amino-5-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide (CAS 694496-92-9) is a chemical compound with molecular formula C17H14Cl3N5OS and molecular weight 441.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide
Also Known As: 2-[[4-amino-5-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide, 2-{[4-amino-5-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methylphenyl)acetamide
| Molecular Formula | C17H14Cl3N5OS |
|---|---|
| Molecular Weight | 441.00 g/mol |
| LogP | 4.65832 |
| Topological Polar Surface Area | 85.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 440.99847 |
| Heavy Atoms | 27 |
| Complexity | 1008.2291 |
Chemical Identifiers
| CAS Number | 694496-92-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC(=C(C=C3)Cl)Cl)Cl |
Product Overview
2-[[4-amino-5-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide (CAS 694496-92-9), with molecular formula C17H14Cl3N5OS and molecular weight 441.00 g/mol. IUPAC: 2-[[4-amino-5-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide.
Chemical Property Profile of 2-[[4-amino-5-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide
Property Insights of 2-[[4-amino-5-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide
The XLogP value of 4.65832 indicates that 2-[[4-amino-5-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[4-amino-5-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide. Following Lipinski's Rule of Five, 2-[[4-amino-5-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide has 2 hydrogen bond donor(s) and 5 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 2-[[4-amino-5-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide?
The CAS number of 2-[[4-amino-5-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide is 694496-92-9.
What is the molecular formula of 2-[[4-amino-5-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide?
The molecular formula of 2-[[4-amino-5-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide is C17H14Cl3N5OS.
What is the molecular weight of 2-[[4-amino-5-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide?
The molecular weight of 2-[[4-amino-5-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide is 441.00 g/mol.
Where can I buy 2-[[4-amino-5-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide?
You can request a quote for 2-[[4-amino-5-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[4-amino-5-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[[4-amino-5-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.