![2-((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-sulfamoylphenyl)acetamide structure](/static/products/496/496028-99-0.png)
2-((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-sulfamoylphenyl)acetamide
TL;DR: 2-((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-sulfamoylphenyl)acetamide (CAS 496028-99-0) is a chemical compound with molecular formula C17H16N4O4S3 and molecular weight 436.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
Also Known As: 2-((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-sulfamoylphenyl)acetamide, 2-(4-oxo(3,5,6,7-tetrahydrocyclopenta[1,2-d]pyrimidino[4,5-b]thiophen-2-ylthio ))-N-(4-sulfamoylphenyl)acetamide, 2-(4-oxo(3,5,6,7-tetrahydrocyclopenta[1,2-d]pyrimidino[4,5-b]thiophen-2-ylthio))-N-(4-sulfamoylphenyl)acetamide, 2-[(4-hydroxy-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide, 2-[(4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
| Molecular Formula | C17H16N4O4S3 |
|---|---|
| Molecular Weight | 436.03 g/mol |
| LogP | 1.8515 |
| Topological Polar Surface Area | 135.01 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 436.03336 |
| Heavy Atoms | 28 |
| Complexity | 1229.7612 |
Chemical Identifiers
| CAS Number | 496028-99-0 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=O)NC(=N3)SCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N |
Product Overview
2-((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-sulfamoylphenyl)acetamide (CAS 496028-99-0), with molecular formula C17H16N4O4S3 and molecular weight 436.03 g/mol. IUPAC: 2-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide.
Chemical Property Profile of 2-((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-sulfamoylphenyl)acetamide
Property Insights of 2-((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-sulfamoylphenyl)acetamide
The XLogP value of 1.8515 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-sulfamoylphenyl)acetamide. The TPSA of 135.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-sulfamoylphenyl)acetamide. Following Lipinski's Rule of Five, 2-((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-sulfamoylphenyl)acetamide has 3 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 2-((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-sulfamoylphenyl)acetamide?
The CAS number of 2-((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-sulfamoylphenyl)acetamide is 496028-99-0.
What is the molecular formula of 2-((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-sulfamoylphenyl)acetamide?
The molecular formula of 2-((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-sulfamoylphenyl)acetamide is C17H16N4O4S3.
What is the molecular weight of 2-((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-sulfamoylphenyl)acetamide?
The molecular weight of 2-((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-sulfamoylphenyl)acetamide is 436.03 g/mol.
Where can I buy 2-((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-sulfamoylphenyl)acetamide?
You can request a quote for 2-((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-sulfamoylphenyl)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-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-sulfamoylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-sulfamoylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.