RefChem:826988
TL;DR: RefChem:826988 (CAS 565446-72-2) is a chemical compound with molecular formula C16H17N5O3S3 and molecular weight 423.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
Also Known As: 2-{[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamide, 2-((4-Ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide, 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide, N-[4-(aminosulfonyl)phenyl]-2-{[4-ethyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 2-(4-ethyl-5-(2-thienyl)(1,2,4-triazol-3-ylthio))-N-(4-sulfamoylphenyl)acetami de
| Molecular Formula | C16H17N5O3S3 |
|---|---|
| Molecular Weight | 423.05 g/mol |
| LogP | 2.4047 |
| Topological Polar Surface Area | 119.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 423.04935 |
| Heavy Atoms | 27 |
| Complexity | 1027.9526 |
Chemical Identifiers
| CAS Number | 565446-72-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CS3 |
Product Overview
RefChem:826988 (CAS 565446-72-2), with molecular formula C16H17N5O3S3 and molecular weight 423.05 g/mol. IUPAC: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide.
Chemical Property Profile of RefChem:826988
Property Insights of RefChem:826988
The XLogP value of 2.4047 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:826988. The TPSA of 119.97 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:826988. Following Lipinski's Rule of Five, RefChem:826988 has 2 hydrogen bond donor(s) and 7 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 RefChem:826988?
The CAS number of RefChem:826988 is 565446-72-2.
What is the molecular formula of RefChem:826988?
The molecular formula of RefChem:826988 is C16H17N5O3S3.
What is the molecular weight of RefChem:826988?
The molecular weight of RefChem:826988 is 423.05 g/mol.
Where can I buy RefChem:826988?
You can request a quote for RefChem:826988 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:826988?
Yes, KEHONG BIO provides custom synthesis services for RefChem:826988 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.