ChemDiv1_002717
TL;DR: ChemDiv1_002717 (CAS 304685-05-0) is a chemical compound with molecular formula C21H22N4O4S3 and molecular weight 490.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
Also Known As: ChemDiv1_002717, 2-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamide, 2-((3-allyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-sulfamoylphenyl)acetamide, 2-(3-Allyl-4-oxo-3,4,5,6,7,8-hexahydro-benzo[4,5]thieno[2,3-d]pyrimidin-2-ylsulfanyl)-N-(4-sulfamoyl-phenyl)-acetamide, 2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2 -ylthio))-N-(4-sulfamoylphenyl)acetamide
| Molecular Formula | C21H22N4O4S3 |
|---|---|
| Molecular Weight | 490.08 g/mol |
| LogP | 2.901 |
| Topological Polar Surface Area | 124.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 490.08032 |
| Heavy Atoms | 32 |
| Complexity | 1358.428 |
Chemical Identifiers
| CAS Number | 304685-05-0 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N)SC4=C2CCCC4 |
Product Overview
ChemDiv1_002717 (CAS 304685-05-0), with molecular formula C21H22N4O4S3 and molecular weight 490.08 g/mol. IUPAC: 2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide.
Chemical Property Profile of ChemDiv1_002717
Property Insights of ChemDiv1_002717
The XLogP value of 2.901 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_002717. The TPSA of 124.15 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002717. Following Lipinski's Rule of Five, ChemDiv1_002717 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 ChemDiv1_002717?
The CAS number of ChemDiv1_002717 is 304685-05-0.
What is the molecular formula of ChemDiv1_002717?
The molecular formula of ChemDiv1_002717 is C21H22N4O4S3.
What is the molecular weight of ChemDiv1_002717?
The molecular weight of ChemDiv1_002717 is 490.08 g/mol.
Where can I buy ChemDiv1_002717?
You can request a quote for ChemDiv1_002717 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002717?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002717 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.