![N-[4-(dimethylamino)phenyl]-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide structure](/static/products/5870/587006-90-4.webp)
N-[4-(dimethylamino)phenyl]-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide
TL;DR: N-[4-(dimethylamino)phenyl]-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide (CAS 587006-90-4) is a chemical compound with molecular formula C23H26N4O2S2 and molecular weight 454.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(dimethylamino)phenyl]-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Also Known As: N-[4-(dimethylamino)phenyl]-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide, 2-((3-allyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-(dimethylamino)phenyl)acetamide, N-(4-dimethylaminophenyl)-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide, N-[4-(dimethylamino)phenyl]-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b ]thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide, N-[4-(dimethylamino)phenyl]-2-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
| Molecular Formula | C23H26N4O2S2 |
|---|---|
| Molecular Weight | 454.15 g/mol |
| LogP | 4.3196 |
| Topological Polar Surface Area | 67.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.14972 |
| Heavy Atoms | 31 |
| Complexity | 1178.99 |
Chemical Identifiers
| CAS Number | 587006-90-4 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2CC=C |
Product Overview
N-[4-(dimethylamino)phenyl]-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide (CAS 587006-90-4), with molecular formula C23H26N4O2S2 and molecular weight 454.15 g/mol. IUPAC: N-[4-(dimethylamino)phenyl]-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide.
Chemical Property Profile of N-[4-(dimethylamino)phenyl]-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide
Property Insights of N-[4-(dimethylamino)phenyl]-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide
The XLogP value of 4.3196 indicates that N-[4-(dimethylamino)phenyl]-2-(4-oxo-3-prop-2-enyl(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 67.23 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4-(dimethylamino)phenyl]-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide. Following Lipinski's Rule of Five, N-[4-(dimethylamino)phenyl]-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide has 1 hydrogen bond donor(s) and 6 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-[4-(dimethylamino)phenyl]-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide?
The CAS number of N-[4-(dimethylamino)phenyl]-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide is 587006-90-4.
What is the molecular formula of N-[4-(dimethylamino)phenyl]-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide?
The molecular formula of N-[4-(dimethylamino)phenyl]-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide is C23H26N4O2S2.
What is the molecular weight of N-[4-(dimethylamino)phenyl]-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide?
The molecular weight of N-[4-(dimethylamino)phenyl]-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide is 454.15 g/mol.
Where can I buy N-[4-(dimethylamino)phenyl]-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide?
You can request a quote for N-[4-(dimethylamino)phenyl]-2-(4-oxo-3-prop-2-enyl(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-[4-(dimethylamino)phenyl]-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(dimethylamino)phenyl]-2-(4-oxo-3-prop-2-enyl(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.