![ethyl 2-[2-(3,5,6-trimethyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)ac etylamino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate structure](/static/products/4948/494826-07-2.webp)
ethyl 2-[2-(3,5,6-trimethyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)ac etylamino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
TL;DR: ethyl 2-[2-(3,5,6-trimethyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)ac etylamino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 494826-07-2) is a chemical compound with molecular formula C22H25N3O4S3 and molecular weight 491.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ethyl 2-[2-(3,5,6-trimethyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)ac etylamino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-({[(3,5,6-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(2-((3,5,6-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[[2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C22H25N3O4S3 |
|---|---|
| Molecular Weight | 491.10 g/mol |
| LogP | 4.45964 |
| Topological Polar Surface Area | 90.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 491.1007 |
| Heavy Atoms | 32 |
| Complexity | 1271.9092 |
Chemical Identifiers
| CAS Number | 494826-07-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC4=C(C(=C(S4)C)C)C(=O)N3C |
Product Overview
ethyl 2-[2-(3,5,6-trimethyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)ac etylamino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 494826-07-2), with molecular formula C22H25N3O4S3 and molecular weight 491.10 g/mol. IUPAC: ethyl 2-[[2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-[2-(3,5,6-trimethyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)ac etylamino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Property Insights of ethyl 2-[2-(3,5,6-trimethyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)ac etylamino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
The XLogP value of 4.45964 indicates that ethyl 2-[2-(3,5,6-trimethyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)ac etylamino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate 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-(3,5,6-trimethyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)ac etylamino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-[2-(3,5,6-trimethyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)ac etylamino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 8 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-(3,5,6-trimethyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)ac etylamino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The CAS number of ethyl 2-[2-(3,5,6-trimethyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)ac etylamino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 494826-07-2.
What is the molecular formula of ethyl 2-[2-(3,5,6-trimethyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)ac etylamino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular formula of ethyl 2-[2-(3,5,6-trimethyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)ac etylamino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is C22H25N3O4S3.
What is the molecular weight of ethyl 2-[2-(3,5,6-trimethyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)ac etylamino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular weight of ethyl 2-[2-(3,5,6-trimethyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)ac etylamino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 491.10 g/mol.
Where can I buy ethyl 2-[2-(3,5,6-trimethyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)ac etylamino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
You can request a quote for ethyl 2-[2-(3,5,6-trimethyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)ac etylamino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate 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-(3,5,6-trimethyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)ac etylamino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[2-(3,5,6-trimethyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)ac etylamino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.