![Ethyl 2-{2-[3-(4-methylphenyl)-4-oxo-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio]acetylamino}acetate structure](/static/products/5754/575470-66-5.webp)
Ethyl 2-{2-[3-(4-methylphenyl)-4-oxo-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio]acetylamino}acetate
TL;DR: Ethyl 2-{2-[3-(4-methylphenyl)-4-oxo-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio]acetylamino}acetate (CAS 575470-66-5) is a chemical compound with molecular formula C23H25N3O4S2 and molecular weight 471.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[[3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetyl]amino]acetate
Also Known As: Ethyl 2-{2-[3-(4-methylphenyl)-4-oxo-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio]acetylamino}acetate, ethyl 2-(2-((4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamido)acetate, ethyl 2-(2-{[4-(4-methylphenyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}acetamido)acetate, ethyl 2-[[2-[[3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetyl]amino]acetate, ethyl 2-{2-[3-(4-methylphenyl)-4-oxo-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3 -d]pyrimidin-2-ylthio]acetylamino}acetate
| Molecular Formula | C23H25N3O4S2 |
|---|---|
| Molecular Weight | 471.13 g/mol |
| LogP | 3.40582 |
| Topological Polar Surface Area | 90.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 471.12866 |
| Heavy Atoms | 32 |
| Complexity | 1214.69 |
Chemical Identifiers
| CAS Number | 575470-66-5 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)CSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1C4=CC=C(C=C4)C |
Product Overview
Ethyl 2-{2-[3-(4-methylphenyl)-4-oxo-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio]acetylamino}acetate (CAS 575470-66-5), with molecular formula C23H25N3O4S2 and molecular weight 471.13 g/mol. IUPAC: ethyl 2-[[2-[[3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetyl]amino]acetate.
Chemical Property Profile of Ethyl 2-{2-[3-(4-methylphenyl)-4-oxo-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio]acetylamino}acetate
Property Insights of Ethyl 2-{2-[3-(4-methylphenyl)-4-oxo-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio]acetylamino}acetate
The XLogP value of 3.40582 indicates that Ethyl 2-{2-[3-(4-methylphenyl)-4-oxo-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio]acetylamino}acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-{2-[3-(4-methylphenyl)-4-oxo-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio]acetylamino}acetate. Following Lipinski's Rule of Five, Ethyl 2-{2-[3-(4-methylphenyl)-4-oxo-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio]acetylamino}acetate 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 Ethyl 2-{2-[3-(4-methylphenyl)-4-oxo-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio]acetylamino}acetate?
The CAS number of Ethyl 2-{2-[3-(4-methylphenyl)-4-oxo-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio]acetylamino}acetate is 575470-66-5.
What is the molecular formula of Ethyl 2-{2-[3-(4-methylphenyl)-4-oxo-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio]acetylamino}acetate?
The molecular formula of Ethyl 2-{2-[3-(4-methylphenyl)-4-oxo-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio]acetylamino}acetate is C23H25N3O4S2.
What is the molecular weight of Ethyl 2-{2-[3-(4-methylphenyl)-4-oxo-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio]acetylamino}acetate?
The molecular weight of Ethyl 2-{2-[3-(4-methylphenyl)-4-oxo-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio]acetylamino}acetate is 471.13 g/mol.
Where can I buy Ethyl 2-{2-[3-(4-methylphenyl)-4-oxo-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio]acetylamino}acetate?
You can request a quote for Ethyl 2-{2-[3-(4-methylphenyl)-4-oxo-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio]acetylamino}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-{2-[3-(4-methylphenyl)-4-oxo-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio]acetylamino}acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-{2-[3-(4-methylphenyl)-4-oxo-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio]acetylamino}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.