![benzo[b]thiophen-3-yl-N-(4-oxo-2-sulfanyl(3,5,6,7,8-pentahydrobenzo[b]thiophen o[2,3-d]pyrimidin-3-yl))carboxamide structure](/static/products/588/588696-31-5.png)
benzo[b]thiophen-3-yl-N-(4-oxo-2-sulfanyl(3,5,6,7,8-pentahydrobenzo[b]thiophen o[2,3-d]pyrimidin-3-yl))carboxamide
TL;DR: benzo[b]thiophen-3-yl-N-(4-oxo-2-sulfanyl(3,5,6,7,8-pentahydrobenzo[b]thiophen o[2,3-d]pyrimidin-3-yl))carboxamide (CAS 588696-31-5) is a chemical compound with molecular formula C19H15N3O2S3 and molecular weight 413.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-oxo-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1-benzothiophene-3-carboxamide
Also Known As: benzo[b]thiophen-3-yl-N-(4-oxo-2-sulfanyl(3,5,6,7,8-pentahydrobenzo[b]thiophen o[2,3-d]pyrimidin-3-yl))carboxamide, benzo[b]thiophene-3-carboxamide, N-(5,6,7,8-tetrahydro-2-mercapto-4-oxo[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-, Benzo[b]thiophene-3-carboxamide,N-(1,4,5,6,7,8-hexahydro-4-oxo-2-thioxo[1]benzothieno[2,3-d]pyrimidin-3 -, benzo[b]thiophene-3-carboxamide,N-(5,6,7,8-tetrahydro-2-mercapto-4-oxo[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-, N-(2-mercapto-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-1-benzothiophene-3-carboxamide
| Molecular Formula | C19H15N3O2S3 |
|---|---|
| Molecular Weight | 413.03 g/mol |
| LogP | 4.59799 |
| Topological Polar Surface Area | 66.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 413.03265 |
| Heavy Atoms | 27 |
| Complexity | 1325.7137 |
Chemical Identifiers
| CAS Number | 588696-31-5 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)NC(=S)N(C3=O)NC(=O)C4=CSC5=CC=CC=C54 |
Product Overview
benzo[b]thiophen-3-yl-N-(4-oxo-2-sulfanyl(3,5,6,7,8-pentahydrobenzo[b]thiophen o[2,3-d]pyrimidin-3-yl))carboxamide (CAS 588696-31-5), with molecular formula C19H15N3O2S3 and molecular weight 413.03 g/mol. IUPAC: N-(4-oxo-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1-benzothiophene-3-carboxamide.
Chemical Property Profile of benzo[b]thiophen-3-yl-N-(4-oxo-2-sulfanyl(3,5,6,7,8-pentahydrobenzo[b]thiophen o[2,3-d]pyrimidin-3-yl))carboxamide
Property Insights of benzo[b]thiophen-3-yl-N-(4-oxo-2-sulfanyl(3,5,6,7,8-pentahydrobenzo[b]thiophen o[2,3-d]pyrimidin-3-yl))carboxamide
The XLogP value of 4.59799 indicates that benzo[b]thiophen-3-yl-N-(4-oxo-2-sulfanyl(3,5,6,7,8-pentahydrobenzo[b]thiophen o[2,3-d]pyrimidin-3-yl))carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.89 Ų falls within the moderate polarity range, balancing permeability and solubility for benzo[b]thiophen-3-yl-N-(4-oxo-2-sulfanyl(3,5,6,7,8-pentahydrobenzo[b]thiophen o[2,3-d]pyrimidin-3-yl))carboxamide. Following Lipinski's Rule of Five, benzo[b]thiophen-3-yl-N-(4-oxo-2-sulfanyl(3,5,6,7,8-pentahydrobenzo[b]thiophen o[2,3-d]pyrimidin-3-yl))carboxamide 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 benzo[b]thiophen-3-yl-N-(4-oxo-2-sulfanyl(3,5,6,7,8-pentahydrobenzo[b]thiophen o[2,3-d]pyrimidin-3-yl))carboxamide?
The CAS number of benzo[b]thiophen-3-yl-N-(4-oxo-2-sulfanyl(3,5,6,7,8-pentahydrobenzo[b]thiophen o[2,3-d]pyrimidin-3-yl))carboxamide is 588696-31-5.
What is the molecular formula of benzo[b]thiophen-3-yl-N-(4-oxo-2-sulfanyl(3,5,6,7,8-pentahydrobenzo[b]thiophen o[2,3-d]pyrimidin-3-yl))carboxamide?
The molecular formula of benzo[b]thiophen-3-yl-N-(4-oxo-2-sulfanyl(3,5,6,7,8-pentahydrobenzo[b]thiophen o[2,3-d]pyrimidin-3-yl))carboxamide is C19H15N3O2S3.
What is the molecular weight of benzo[b]thiophen-3-yl-N-(4-oxo-2-sulfanyl(3,5,6,7,8-pentahydrobenzo[b]thiophen o[2,3-d]pyrimidin-3-yl))carboxamide?
The molecular weight of benzo[b]thiophen-3-yl-N-(4-oxo-2-sulfanyl(3,5,6,7,8-pentahydrobenzo[b]thiophen o[2,3-d]pyrimidin-3-yl))carboxamide is 413.03 g/mol.
Where can I buy benzo[b]thiophen-3-yl-N-(4-oxo-2-sulfanyl(3,5,6,7,8-pentahydrobenzo[b]thiophen o[2,3-d]pyrimidin-3-yl))carboxamide?
You can request a quote for benzo[b]thiophen-3-yl-N-(4-oxo-2-sulfanyl(3,5,6,7,8-pentahydrobenzo[b]thiophen o[2,3-d]pyrimidin-3-yl))carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzo[b]thiophen-3-yl-N-(4-oxo-2-sulfanyl(3,5,6,7,8-pentahydrobenzo[b]thiophen o[2,3-d]pyrimidin-3-yl))carboxamide?
Yes, KEHONG BIO provides custom synthesis services for benzo[b]thiophen-3-yl-N-(4-oxo-2-sulfanyl(3,5,6,7,8-pentahydrobenzo[b]thiophen o[2,3-d]pyrimidin-3-yl))carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.