![2-Benzofurancarboxamide, N-(5-ethyl-1,4-dihydro-6-methyl-4-oxo-2-thioxothieno[2,3-d]pyrimidin-3(2H)-yl)-3-methyl- (9CI) structure](/static/products/588/588696-00-8.png)
2-Benzofurancarboxamide, N-(5-ethyl-1,4-dihydro-6-methyl-4-oxo-2-thioxothieno[2,3-d]pyrimidin-3(2H)-yl)-3-methyl- (9CI)
TL;DR: 2-Benzofurancarboxamide, N-(5-ethyl-1,4-dihydro-6-methyl-4-oxo-2-thioxothieno[2,3-d]pyrimidin-3(2H)-yl)-3-methyl- (9CI) (CAS 588696-00-8) is a chemical compound with molecular formula C19H17N3O3S2 and molecular weight 399.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-ethyl-6-methyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-3-yl)-3-methyl-1-benzofuran-2-carboxamide
Also Known As: 2-Benzofurancarboxamide, N-(5-ethyl-1,4-dihydro-6-methyl-4-oxo-2-thioxothieno[2,3-d]pyrimidin-3(2H)-yl)-3-methyl- (9CI), N-(5-ethyl-2-mercapto-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)-3-methyl-1-benzofuran-2-carboxamide, N-(5-ethyl-6-methyl-4-oxo-2-sulfanyl(3-hydrothiopheno[2,3-d]pyrimidin-3-yl))(3 -methylbenzo[d]furan-2-yl)carboxamide, N-(5-ethyl-6-methyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-3-yl)-3-methyl-1-benzofuran-2-carboxamide, N-(5-ethyl-6-methyl-4-oxo-2-sulfanylthieno[2,3-d]pyrimidin-3(4H)-yl)-3-methyl-1-benzofuran-2-carboxamide
| Molecular Formula | C19H17N3O3S2 |
|---|---|
| Molecular Weight | 399.07 g/mol |
| LogP | 4.42993 |
| Topological Polar Surface Area | 80.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.07114 |
| Heavy Atoms | 27 |
| Complexity | 1323.9589 |
Chemical Identifiers
| CAS Number | 588696-00-8 |
|---|---|
| SMILES | CCC1=C(SC2=C1C(=O)N(C(=S)N2)NC(=O)C3=C(C4=CC=CC=C4O3)C)C |
Product Overview
2-Benzofurancarboxamide, N-(5-ethyl-1,4-dihydro-6-methyl-4-oxo-2-thioxothieno[2,3-d]pyrimidin-3(2H)-yl)-3-methyl- (9CI) (CAS 588696-00-8), with molecular formula C19H17N3O3S2 and molecular weight 399.07 g/mol. IUPAC: N-(5-ethyl-6-methyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-3-yl)-3-methyl-1-benzofuran-2-carboxamide.
Chemical Property Profile of 2-Benzofurancarboxamide, N-(5-ethyl-1,4-dihydro-6-methyl-4-oxo-2-thioxothieno[2,3-d]pyrimidin-3(2H)-yl)-3-methyl- (9CI)
Property Insights of 2-Benzofurancarboxamide, N-(5-ethyl-1,4-dihydro-6-methyl-4-oxo-2-thioxothieno[2,3-d]pyrimidin-3(2H)-yl)-3-methyl- (9CI)
The XLogP value of 4.42993 indicates that 2-Benzofurancarboxamide, N-(5-ethyl-1,4-dihydro-6-methyl-4-oxo-2-thioxothieno[2,3-d]pyrimidin-3(2H)-yl)-3-methyl- (9CI) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzofurancarboxamide, N-(5-ethyl-1,4-dihydro-6-methyl-4-oxo-2-thioxothieno[2,3-d]pyrimidin-3(2H)-yl)-3-methyl- (9CI). Following Lipinski's Rule of Five, 2-Benzofurancarboxamide, N-(5-ethyl-1,4-dihydro-6-methyl-4-oxo-2-thioxothieno[2,3-d]pyrimidin-3(2H)-yl)-3-methyl- (9CI) 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 2-Benzofurancarboxamide, N-(5-ethyl-1,4-dihydro-6-methyl-4-oxo-2-thioxothieno[2,3-d]pyrimidin-3(2H)-yl)-3-methyl- (9CI)?
The CAS number of 2-Benzofurancarboxamide, N-(5-ethyl-1,4-dihydro-6-methyl-4-oxo-2-thioxothieno[2,3-d]pyrimidin-3(2H)-yl)-3-methyl- (9CI) is 588696-00-8.
What is the molecular formula of 2-Benzofurancarboxamide, N-(5-ethyl-1,4-dihydro-6-methyl-4-oxo-2-thioxothieno[2,3-d]pyrimidin-3(2H)-yl)-3-methyl- (9CI)?
The molecular formula of 2-Benzofurancarboxamide, N-(5-ethyl-1,4-dihydro-6-methyl-4-oxo-2-thioxothieno[2,3-d]pyrimidin-3(2H)-yl)-3-methyl- (9CI) is C19H17N3O3S2.
What is the molecular weight of 2-Benzofurancarboxamide, N-(5-ethyl-1,4-dihydro-6-methyl-4-oxo-2-thioxothieno[2,3-d]pyrimidin-3(2H)-yl)-3-methyl- (9CI)?
The molecular weight of 2-Benzofurancarboxamide, N-(5-ethyl-1,4-dihydro-6-methyl-4-oxo-2-thioxothieno[2,3-d]pyrimidin-3(2H)-yl)-3-methyl- (9CI) is 399.07 g/mol.
Where can I buy 2-Benzofurancarboxamide, N-(5-ethyl-1,4-dihydro-6-methyl-4-oxo-2-thioxothieno[2,3-d]pyrimidin-3(2H)-yl)-3-methyl- (9CI)?
You can request a quote for 2-Benzofurancarboxamide, N-(5-ethyl-1,4-dihydro-6-methyl-4-oxo-2-thioxothieno[2,3-d]pyrimidin-3(2H)-yl)-3-methyl- (9CI) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzofurancarboxamide, N-(5-ethyl-1,4-dihydro-6-methyl-4-oxo-2-thioxothieno[2,3-d]pyrimidin-3(2H)-yl)-3-methyl- (9CI)?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzofurancarboxamide, N-(5-ethyl-1,4-dihydro-6-methyl-4-oxo-2-thioxothieno[2,3-d]pyrimidin-3(2H)-yl)-3-methyl- (9CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.