![benzo[b]thiophen-3-yl-N-(7-methyl-4-oxo-2-sulfanyl(3,5,6,7,8-pentahydrobenzo[b ]thiopheno[2,3-d]pyrimidin-3-yl))carboxamide structure](/static/products/588/588714-96-9.png)
benzo[b]thiophen-3-yl-N-(7-methyl-4-oxo-2-sulfanyl(3,5,6,7,8-pentahydrobenzo[b ]thiopheno[2,3-d]pyrimidin-3-yl))carboxamide
TL;DR: benzo[b]thiophen-3-yl-N-(7-methyl-4-oxo-2-sulfanyl(3,5,6,7,8-pentahydrobenzo[b ]thiopheno[2,3-d]pyrimidin-3-yl))carboxamide (CAS 588714-96-9) is a chemical compound with molecular formula C20H17N3O2S3 and molecular weight 427.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(7-methyl-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-(7-methyl-4-oxo-2-sulfanyl(3,5,6,7,8-pentahydrobenzo[b ]thiopheno[2,3-d]pyrimidin-3-yl))carboxamide, benzo[b]thiophene-3-carboxamide, N-(5,6,7,8-tetrahydro-2-mercapto-7-methyl-4-oxo[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-, Benzo[b]thiophene-3-carboxamide,N-(1,4,5,6,7,8-hexahydro-7-methyl-4-oxo-2-thioxo[1]benzothieno[2,3-d]pyrimidin-3 -, benzo[b]thiophene-3-carboxamide,N-(5,6,7,8-tetrahydro-2-mercapto-7-methyl-4-oxo[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-, N-(2-mercapto-7-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-1-benzothiophene-3-carboxamide
| Molecular Formula | C20H17N3O2S3 |
|---|---|
| Molecular Weight | 427.05 g/mol |
| LogP | 4.84399 |
| Topological Polar Surface Area | 66.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 427.04828 |
| Heavy Atoms | 28 |
| Complexity | 1358.7822 |
Chemical Identifiers
| CAS Number | 588714-96-9 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC3=C2C(=O)N(C(=S)N3)NC(=O)C4=CSC5=CC=CC=C54 |
Product Overview
benzo[b]thiophen-3-yl-N-(7-methyl-4-oxo-2-sulfanyl(3,5,6,7,8-pentahydrobenzo[b ]thiopheno[2,3-d]pyrimidin-3-yl))carboxamide (CAS 588714-96-9), with molecular formula C20H17N3O2S3 and molecular weight 427.05 g/mol. IUPAC: N-(7-methyl-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-(7-methyl-4-oxo-2-sulfanyl(3,5,6,7,8-pentahydrobenzo[b ]thiopheno[2,3-d]pyrimidin-3-yl))carboxamide
Property Insights of benzo[b]thiophen-3-yl-N-(7-methyl-4-oxo-2-sulfanyl(3,5,6,7,8-pentahydrobenzo[b ]thiopheno[2,3-d]pyrimidin-3-yl))carboxamide
The XLogP value of 4.84399 indicates that benzo[b]thiophen-3-yl-N-(7-methyl-4-oxo-2-sulfanyl(3,5,6,7,8-pentahydrobenzo[b ]thiopheno[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-(7-methyl-4-oxo-2-sulfanyl(3,5,6,7,8-pentahydrobenzo[b ]thiopheno[2,3-d]pyrimidin-3-yl))carboxamide. Following Lipinski's Rule of Five, benzo[b]thiophen-3-yl-N-(7-methyl-4-oxo-2-sulfanyl(3,5,6,7,8-pentahydrobenzo[b ]thiopheno[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-(7-methyl-4-oxo-2-sulfanyl(3,5,6,7,8-pentahydrobenzo[b ]thiopheno[2,3-d]pyrimidin-3-yl))carboxamide?
The CAS number of benzo[b]thiophen-3-yl-N-(7-methyl-4-oxo-2-sulfanyl(3,5,6,7,8-pentahydrobenzo[b ]thiopheno[2,3-d]pyrimidin-3-yl))carboxamide is 588714-96-9.
What is the molecular formula of benzo[b]thiophen-3-yl-N-(7-methyl-4-oxo-2-sulfanyl(3,5,6,7,8-pentahydrobenzo[b ]thiopheno[2,3-d]pyrimidin-3-yl))carboxamide?
The molecular formula of benzo[b]thiophen-3-yl-N-(7-methyl-4-oxo-2-sulfanyl(3,5,6,7,8-pentahydrobenzo[b ]thiopheno[2,3-d]pyrimidin-3-yl))carboxamide is C20H17N3O2S3.
What is the molecular weight of benzo[b]thiophen-3-yl-N-(7-methyl-4-oxo-2-sulfanyl(3,5,6,7,8-pentahydrobenzo[b ]thiopheno[2,3-d]pyrimidin-3-yl))carboxamide?
The molecular weight of benzo[b]thiophen-3-yl-N-(7-methyl-4-oxo-2-sulfanyl(3,5,6,7,8-pentahydrobenzo[b ]thiopheno[2,3-d]pyrimidin-3-yl))carboxamide is 427.05 g/mol.
Where can I buy benzo[b]thiophen-3-yl-N-(7-methyl-4-oxo-2-sulfanyl(3,5,6,7,8-pentahydrobenzo[b ]thiopheno[2,3-d]pyrimidin-3-yl))carboxamide?
You can request a quote for benzo[b]thiophen-3-yl-N-(7-methyl-4-oxo-2-sulfanyl(3,5,6,7,8-pentahydrobenzo[b ]thiopheno[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-(7-methyl-4-oxo-2-sulfanyl(3,5,6,7,8-pentahydrobenzo[b ]thiopheno[2,3-d]pyrimidin-3-yl))carboxamide?
Yes, KEHONG BIO provides custom synthesis services for benzo[b]thiophen-3-yl-N-(7-methyl-4-oxo-2-sulfanyl(3,5,6,7,8-pentahydrobenzo[b ]thiopheno[2,3-d]pyrimidin-3-yl))carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.