![N-(3,4-dimethoxyphenyl)-2-(3-ethyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiopheno [2,3-d]pyrimidin-2-ylthio))acetamide structure](/static/products/7534/753494-52-9.webp)
N-(3,4-dimethoxyphenyl)-2-(3-ethyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiopheno [2,3-d]pyrimidin-2-ylthio))acetamide
TL;DR: N-(3,4-dimethoxyphenyl)-2-(3-ethyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiopheno [2,3-d]pyrimidin-2-ylthio))acetamide (CAS 753494-52-9) is a chemical compound with molecular formula C22H25N3O4S2 and molecular weight 459.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dimethoxyphenyl)-2-[(3-ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Also Known As: N-(3,4-dimethoxyphenyl)-2-(3-ethyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiopheno [2,3-d]pyrimidin-2-ylthio))acetamide, N-(3,4-dimethoxyphenyl)-2-((3-ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide, N-(3,4-dimethoxyphenyl)-2-[(3-ethyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide, N-(3,4-dimethoxyphenyl)-2-[(3-ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
| Molecular Formula | C22H25N3O4S2 |
|---|---|
| Molecular Weight | 459.13 g/mol |
| LogP | 4.1047 |
| Topological Polar Surface Area | 82.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 459.12866 |
| Heavy Atoms | 31 |
| Complexity | 1185.6932 |
Chemical Identifiers
| CAS Number | 753494-52-9 |
|---|---|
| SMILES | CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC(=C(C=C3)OC)OC)SC4=C2CCCC4 |
Product Overview
N-(3,4-dimethoxyphenyl)-2-(3-ethyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiopheno [2,3-d]pyrimidin-2-ylthio))acetamide (CAS 753494-52-9), with molecular formula C22H25N3O4S2 and molecular weight 459.13 g/mol. IUPAC: N-(3,4-dimethoxyphenyl)-2-[(3-ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide.
Chemical Property Profile of N-(3,4-dimethoxyphenyl)-2-(3-ethyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiopheno [2,3-d]pyrimidin-2-ylthio))acetamide
Property Insights of N-(3,4-dimethoxyphenyl)-2-(3-ethyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiopheno [2,3-d]pyrimidin-2-ylthio))acetamide
The XLogP value of 4.1047 indicates that N-(3,4-dimethoxyphenyl)-2-(3-ethyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiopheno [2,3-d]pyrimidin-2-ylthio))acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.45 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3,4-dimethoxyphenyl)-2-(3-ethyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiopheno [2,3-d]pyrimidin-2-ylthio))acetamide. Following Lipinski's Rule of Five, N-(3,4-dimethoxyphenyl)-2-(3-ethyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiopheno [2,3-d]pyrimidin-2-ylthio))acetamide has 1 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 N-(3,4-dimethoxyphenyl)-2-(3-ethyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiopheno [2,3-d]pyrimidin-2-ylthio))acetamide?
The CAS number of N-(3,4-dimethoxyphenyl)-2-(3-ethyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiopheno [2,3-d]pyrimidin-2-ylthio))acetamide is 753494-52-9.
What is the molecular formula of N-(3,4-dimethoxyphenyl)-2-(3-ethyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiopheno [2,3-d]pyrimidin-2-ylthio))acetamide?
The molecular formula of N-(3,4-dimethoxyphenyl)-2-(3-ethyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiopheno [2,3-d]pyrimidin-2-ylthio))acetamide is C22H25N3O4S2.
What is the molecular weight of N-(3,4-dimethoxyphenyl)-2-(3-ethyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiopheno [2,3-d]pyrimidin-2-ylthio))acetamide?
The molecular weight of N-(3,4-dimethoxyphenyl)-2-(3-ethyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiopheno [2,3-d]pyrimidin-2-ylthio))acetamide is 459.13 g/mol.
Where can I buy N-(3,4-dimethoxyphenyl)-2-(3-ethyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiopheno [2,3-d]pyrimidin-2-ylthio))acetamide?
You can request a quote for N-(3,4-dimethoxyphenyl)-2-(3-ethyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiopheno [2,3-d]pyrimidin-2-ylthio))acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,4-dimethoxyphenyl)-2-(3-ethyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiopheno [2,3-d]pyrimidin-2-ylthio))acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3,4-dimethoxyphenyl)-2-(3-ethyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiopheno [2,3-d]pyrimidin-2-ylthio))acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.