![Ethyl 4-methyl-2-[2-(4-oxo-3-phenyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio))acetylamino]-1,3-thiazole-5-carboxylate structure](/static/products/4948/494826-08-3.webp)
Ethyl 4-methyl-2-[2-(4-oxo-3-phenyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio))acetylamino]-1,3-thiazole-5-carboxylate
TL;DR: Ethyl 4-methyl-2-[2-(4-oxo-3-phenyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio))acetylamino]-1,3-thiazole-5-carboxylate (CAS 494826-08-3) is a chemical compound with molecular formula C25H24N4O4S3 and molecular weight 540.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-methyl-2-[[2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate
Also Known As: Ethyl 4-methyl-2-[2-(4-oxo-3-phenyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio))acetylamino]-1,3-thiazole-5-carboxylate, ethyl (2Z)-4-methyl-2-({[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}imino)-2,3-dihydro-1,3-thiazole-5-carboxylate, ethyl 4-methyl-2-(2-((4-oxo-3-phenyl-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamido)thiazole-5-carboxylate, ethyl 4-methyl-2-[[2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate, ethyl 4-methyl-2-[2-(4-oxo-3-phenyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3- d]pyrimidin-2-ylthio))acetylamino]-1,3-thiazole-5-carboxylate
| Molecular Formula | C25H24N4O4S3 |
|---|---|
| Molecular Weight | 540.10 g/mol |
| LogP | 4.99842 |
| Topological Polar Surface Area | 103.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 540.09595 |
| Heavy Atoms | 36 |
| Complexity | 1507.2648 |
Chemical Identifiers
| CAS Number | 494826-08-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=CC=C5)C |
Product Overview
Ethyl 4-methyl-2-[2-(4-oxo-3-phenyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio))acetylamino]-1,3-thiazole-5-carboxylate (CAS 494826-08-3), with molecular formula C25H24N4O4S3 and molecular weight 540.10 g/mol. IUPAC: ethyl 4-methyl-2-[[2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate.
Chemical Property Profile of Ethyl 4-methyl-2-[2-(4-oxo-3-phenyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio))acetylamino]-1,3-thiazole-5-carboxylate
Property Insights of Ethyl 4-methyl-2-[2-(4-oxo-3-phenyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio))acetylamino]-1,3-thiazole-5-carboxylate
The XLogP value of 4.99842 indicates that Ethyl 4-methyl-2-[2-(4-oxo-3-phenyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio))acetylamino]-1,3-thiazole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.18 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-methyl-2-[2-(4-oxo-3-phenyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio))acetylamino]-1,3-thiazole-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-methyl-2-[2-(4-oxo-3-phenyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio))acetylamino]-1,3-thiazole-5-carboxylate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 4-methyl-2-[2-(4-oxo-3-phenyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio))acetylamino]-1,3-thiazole-5-carboxylate?
The CAS number of Ethyl 4-methyl-2-[2-(4-oxo-3-phenyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio))acetylamino]-1,3-thiazole-5-carboxylate is 494826-08-3.
What is the molecular formula of Ethyl 4-methyl-2-[2-(4-oxo-3-phenyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio))acetylamino]-1,3-thiazole-5-carboxylate?
The molecular formula of Ethyl 4-methyl-2-[2-(4-oxo-3-phenyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio))acetylamino]-1,3-thiazole-5-carboxylate is C25H24N4O4S3.
What is the molecular weight of Ethyl 4-methyl-2-[2-(4-oxo-3-phenyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio))acetylamino]-1,3-thiazole-5-carboxylate?
The molecular weight of Ethyl 4-methyl-2-[2-(4-oxo-3-phenyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio))acetylamino]-1,3-thiazole-5-carboxylate is 540.10 g/mol.
Where can I buy Ethyl 4-methyl-2-[2-(4-oxo-3-phenyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio))acetylamino]-1,3-thiazole-5-carboxylate?
You can request a quote for Ethyl 4-methyl-2-[2-(4-oxo-3-phenyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio))acetylamino]-1,3-thiazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-methyl-2-[2-(4-oxo-3-phenyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio))acetylamino]-1,3-thiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-methyl-2-[2-(4-oxo-3-phenyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio))acetylamino]-1,3-thiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.