2-((4-Amino-5-(3-CL-PH)-4H-1,2,4-triazol-3-YL)thio)-N-(4-CL-2-ME-PH)acetamide
TL;DR: 2-((4-Amino-5-(3-CL-PH)-4H-1,2,4-triazol-3-YL)thio)-N-(4-CL-2-ME-PH)acetamide (CAS 577763-55-4) is a chemical compound with molecular formula C17H15Cl2N5OS and molecular weight 407.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloro-2-methylphenyl)acetamide
Also Known As: 2-{[4-amino-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-2-methylphenyl)acetamide, 2-((4-Amino-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-chloro-2-methylphenyl)acetamide, 2-((4-Amino-5-(3-CL-PH)-4H-1,2,4-triazol-3-YL)thio)-N-(4-CL-2-ME-PH)acetamide, 2-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloro-2-methyl-phenyl)acetamide, 2-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloro-2-methylphenyl)acetamide
| Molecular Formula | C17H15Cl2N5OS |
|---|---|
| Molecular Weight | 407.04 g/mol |
| LogP | 4.00492 |
| Topological Polar Surface Area | 85.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.03745 |
| Heavy Atoms | 26 |
| Complexity | 960.07635 |
Chemical Identifiers
| CAS Number | 577763-55-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)NC(=O)CSC2=NN=C(N2N)C3=CC(=CC=C3)Cl |
Product Overview
2-((4-Amino-5-(3-CL-PH)-4H-1,2,4-triazol-3-YL)thio)-N-(4-CL-2-ME-PH)acetamide (CAS 577763-55-4), with molecular formula C17H15Cl2N5OS and molecular weight 407.04 g/mol. IUPAC: 2-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloro-2-methylphenyl)acetamide.
Chemical Property Profile of 2-((4-Amino-5-(3-CL-PH)-4H-1,2,4-triazol-3-YL)thio)-N-(4-CL-2-ME-PH)acetamide
Property Insights of 2-((4-Amino-5-(3-CL-PH)-4H-1,2,4-triazol-3-YL)thio)-N-(4-CL-2-ME-PH)acetamide
The XLogP value of 4.00492 indicates that 2-((4-Amino-5-(3-CL-PH)-4H-1,2,4-triazol-3-YL)thio)-N-(4-CL-2-ME-PH)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-CL-PH)-4H-1,2,4-triazol-3-YL)thio)-N-(4-CL-2-ME-PH)acetamide. Following Lipinski's Rule of Five, 2-((4-Amino-5-(3-CL-PH)-4H-1,2,4-triazol-3-YL)thio)-N-(4-CL-2-ME-PH)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-CL-PH)-4H-1,2,4-triazol-3-YL)thio)-N-(4-CL-2-ME-PH)acetamide?
The CAS number of 2-((4-Amino-5-(3-CL-PH)-4H-1,2,4-triazol-3-YL)thio)-N-(4-CL-2-ME-PH)acetamide is 577763-55-4.
What is the molecular formula of 2-((4-Amino-5-(3-CL-PH)-4H-1,2,4-triazol-3-YL)thio)-N-(4-CL-2-ME-PH)acetamide?
The molecular formula of 2-((4-Amino-5-(3-CL-PH)-4H-1,2,4-triazol-3-YL)thio)-N-(4-CL-2-ME-PH)acetamide is C17H15Cl2N5OS.
What is the molecular weight of 2-((4-Amino-5-(3-CL-PH)-4H-1,2,4-triazol-3-YL)thio)-N-(4-CL-2-ME-PH)acetamide?
The molecular weight of 2-((4-Amino-5-(3-CL-PH)-4H-1,2,4-triazol-3-YL)thio)-N-(4-CL-2-ME-PH)acetamide is 407.04 g/mol.
Where can I buy 2-((4-Amino-5-(3-CL-PH)-4H-1,2,4-triazol-3-YL)thio)-N-(4-CL-2-ME-PH)acetamide?
You can request a quote for 2-((4-Amino-5-(3-CL-PH)-4H-1,2,4-triazol-3-YL)thio)-N-(4-CL-2-ME-PH)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-CL-PH)-4H-1,2,4-triazol-3-YL)thio)-N-(4-CL-2-ME-PH)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Amino-5-(3-CL-PH)-4H-1,2,4-triazol-3-YL)thio)-N-(4-CL-2-ME-PH)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.