![2-(4-oxo-3-phenyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylth io))-N-(1,3-thiazol-2-yl)acetamide structure](/static/products/4894/489425-62-9.webp)
2-(4-oxo-3-phenyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylth io))-N-(1,3-thiazol-2-yl)acetamide
TL;DR: 2-(4-oxo-3-phenyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylth io))-N-(1,3-thiazol-2-yl)acetamide (CAS 489425-62-9) is a chemical compound with molecular formula C21H18N4O2S3 and molecular weight 454.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
Also Known As: 2-(4-oxo-3-phenyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylth io))-N-(1,3-thiazol-2-yl)acetamide, 2-((4-oxo-3-phenyl-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(thiazol-2-yl)acetamide, 2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide, 2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide, Cambridge id 7355124
| Molecular Formula | C21H18N4O2S3 |
|---|---|
| Molecular Weight | 454.06 g/mol |
| LogP | 4.5133 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.0592 |
| Heavy Atoms | 30 |
| Complexity | 1263.1414 |
Chemical Identifiers
| CAS Number | 489425-62-9 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=CC=C4)SCC(=O)NC5=NC=CS5 |
Product Overview
2-(4-oxo-3-phenyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylth io))-N-(1,3-thiazol-2-yl)acetamide (CAS 489425-62-9), with molecular formula C21H18N4O2S3 and molecular weight 454.06 g/mol. IUPAC: 2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
Chemical Property Profile of 2-(4-oxo-3-phenyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylth io))-N-(1,3-thiazol-2-yl)acetamide
Property Insights of 2-(4-oxo-3-phenyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylth io))-N-(1,3-thiazol-2-yl)acetamide
The XLogP value of 4.5133 indicates that 2-(4-oxo-3-phenyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylth io))-N-(1,3-thiazol-2-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-oxo-3-phenyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylth io))-N-(1,3-thiazol-2-yl)acetamide. Following Lipinski's Rule of Five, 2-(4-oxo-3-phenyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylth io))-N-(1,3-thiazol-2-yl)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 2-(4-oxo-3-phenyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylth io))-N-(1,3-thiazol-2-yl)acetamide?
The CAS number of 2-(4-oxo-3-phenyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylth io))-N-(1,3-thiazol-2-yl)acetamide is 489425-62-9.
What is the molecular formula of 2-(4-oxo-3-phenyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylth io))-N-(1,3-thiazol-2-yl)acetamide?
The molecular formula of 2-(4-oxo-3-phenyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylth io))-N-(1,3-thiazol-2-yl)acetamide is C21H18N4O2S3.
What is the molecular weight of 2-(4-oxo-3-phenyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylth io))-N-(1,3-thiazol-2-yl)acetamide?
The molecular weight of 2-(4-oxo-3-phenyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylth io))-N-(1,3-thiazol-2-yl)acetamide is 454.06 g/mol.
Where can I buy 2-(4-oxo-3-phenyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylth io))-N-(1,3-thiazol-2-yl)acetamide?
You can request a quote for 2-(4-oxo-3-phenyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylth io))-N-(1,3-thiazol-2-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-oxo-3-phenyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylth io))-N-(1,3-thiazol-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-oxo-3-phenyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylth io))-N-(1,3-thiazol-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.