![benzo[b]thiophen-3-yl-N-[4-oxo-6-benzyl-2-sulfanyl(3-hydrothiopheno[2,3-d]pyri midin-3-yl)]carboxamide structure](/static/products/588/588697-01-2.png)
benzo[b]thiophen-3-yl-N-[4-oxo-6-benzyl-2-sulfanyl(3-hydrothiopheno[2,3-d]pyri midin-3-yl)]carboxamide
TL;DR: benzo[b]thiophen-3-yl-N-[4-oxo-6-benzyl-2-sulfanyl(3-hydrothiopheno[2,3-d]pyri midin-3-yl)]carboxamide (CAS 588697-01-2) is a chemical compound with molecular formula C22H15N3O2S3 and molecular weight 449.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-benzyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-3-yl)-1-benzothiophene-3-carboxamide
Also Known As: benzo[b]thiophen-3-yl-N-[4-oxo-6-benzyl-2-sulfanyl(3-hydrothiopheno[2,3-d]pyri midin-3-yl)]carboxamide, N-(2-Benzyl-4-oxo-6-thioxo-4,6-dihydrothieno[2,3-d]pyrimidin-5-yl)-1-benzothiophene-3-carboxamide, N-(6-benzyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-3-yl)-1-benzothiophene-3-carboxamide, N-(6-benzyl-4-oxo-2-sulfanylthieno[2,3-d]pyrimidin-3(4H)-yl)-1-benzothiophene-3-carboxamide
| Molecular Formula | C22H15N3O2S3 |
|---|---|
| Molecular Weight | 449.03 g/mol |
| LogP | 5.30999 |
| Topological Polar Surface Area | 66.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 449.03265 |
| Heavy Atoms | 30 |
| Complexity | 1509.7644 |
Chemical Identifiers
| CAS Number | 588697-01-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=CC3=C(S2)NC(=S)N(C3=O)NC(=O)C4=CSC5=CC=CC=C54 |
Product Overview
benzo[b]thiophen-3-yl-N-[4-oxo-6-benzyl-2-sulfanyl(3-hydrothiopheno[2,3-d]pyri midin-3-yl)]carboxamide (CAS 588697-01-2), with molecular formula C22H15N3O2S3 and molecular weight 449.03 g/mol. IUPAC: N-(6-benzyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-3-yl)-1-benzothiophene-3-carboxamide.
Chemical Property Profile of benzo[b]thiophen-3-yl-N-[4-oxo-6-benzyl-2-sulfanyl(3-hydrothiopheno[2,3-d]pyri midin-3-yl)]carboxamide
Property Insights of benzo[b]thiophen-3-yl-N-[4-oxo-6-benzyl-2-sulfanyl(3-hydrothiopheno[2,3-d]pyri midin-3-yl)]carboxamide
The XLogP value of 5.30999 indicates that benzo[b]thiophen-3-yl-N-[4-oxo-6-benzyl-2-sulfanyl(3-hydrothiopheno[2,3-d]pyri midin-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-6-benzyl-2-sulfanyl(3-hydrothiopheno[2,3-d]pyri midin-3-yl)]carboxamide. Following Lipinski's Rule of Five, benzo[b]thiophen-3-yl-N-[4-oxo-6-benzyl-2-sulfanyl(3-hydrothiopheno[2,3-d]pyri midin-3-yl)]carboxamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of benzo[b]thiophen-3-yl-N-[4-oxo-6-benzyl-2-sulfanyl(3-hydrothiopheno[2,3-d]pyri midin-3-yl)]carboxamide?
The CAS number of benzo[b]thiophen-3-yl-N-[4-oxo-6-benzyl-2-sulfanyl(3-hydrothiopheno[2,3-d]pyri midin-3-yl)]carboxamide is 588697-01-2.
What is the molecular formula of benzo[b]thiophen-3-yl-N-[4-oxo-6-benzyl-2-sulfanyl(3-hydrothiopheno[2,3-d]pyri midin-3-yl)]carboxamide?
The molecular formula of benzo[b]thiophen-3-yl-N-[4-oxo-6-benzyl-2-sulfanyl(3-hydrothiopheno[2,3-d]pyri midin-3-yl)]carboxamide is C22H15N3O2S3.
What is the molecular weight of benzo[b]thiophen-3-yl-N-[4-oxo-6-benzyl-2-sulfanyl(3-hydrothiopheno[2,3-d]pyri midin-3-yl)]carboxamide?
The molecular weight of benzo[b]thiophen-3-yl-N-[4-oxo-6-benzyl-2-sulfanyl(3-hydrothiopheno[2,3-d]pyri midin-3-yl)]carboxamide is 449.03 g/mol.
Where can I buy benzo[b]thiophen-3-yl-N-[4-oxo-6-benzyl-2-sulfanyl(3-hydrothiopheno[2,3-d]pyri midin-3-yl)]carboxamide?
You can request a quote for benzo[b]thiophen-3-yl-N-[4-oxo-6-benzyl-2-sulfanyl(3-hydrothiopheno[2,3-d]pyri midin-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-6-benzyl-2-sulfanyl(3-hydrothiopheno[2,3-d]pyri midin-3-yl)]carboxamide?
Yes, KEHONG BIO provides custom synthesis services for benzo[b]thiophen-3-yl-N-[4-oxo-6-benzyl-2-sulfanyl(3-hydrothiopheno[2,3-d]pyri midin-3-yl)]carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.