![ethyl 2-(2-((6-amino-4-oxo-1-(m-tolyl)-1,4-dihydropyrimidin-2-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate structure](/static/products/6851/685132-16-5.webp)
ethyl 2-(2-((6-amino-4-oxo-1-(m-tolyl)-1,4-dihydropyrimidin-2-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
TL;DR: ethyl 2-(2-((6-amino-4-oxo-1-(m-tolyl)-1,4-dihydropyrimidin-2-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CAS 685132-16-5) is a chemical compound with molecular formula C23H24N4O4S2 and molecular weight 484.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: ethyl 2-(2-((6-amino-4-oxo-1-(m-tolyl)-1,4-dihydropyrimidin-2-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ETHYL 2-(2-{[6-AMINO-1-(3-METHYLPHENYL)-4-OXO-1,4-DIHYDROPYRIMIDIN-2-YL]SULFANYL}ACETAMIDO)-4H,5H,6H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLATE, ETHYL 2-(2-{[6-AMINO-1-(3-METHYLPHENYL)-4-OXOPYRIMIDIN-2-YL]SULFANYL}ACETAMIDO)-4H,5H,6H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLATE, ethyl 2-[({[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydropyrimidin-2-yl]sulfanyl}acetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ethyl 2-[[2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C23H24N4O4S2 |
|---|---|
| Molecular Weight | 484.12 g/mol |
| LogP | 3.58082 |
| Topological Polar Surface Area | 116.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 484.1239 |
| Heavy Atoms | 33 |
| Complexity | 1281.9512 |
Chemical Identifiers
| CAS Number | 685132-16-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=NC(=O)C=C(N3C4=CC=CC(=C4)C)N |
Product Overview
ethyl 2-(2-((6-amino-4-oxo-1-(m-tolyl)-1,4-dihydropyrimidin-2-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CAS 685132-16-5), with molecular formula C23H24N4O4S2 and molecular weight 484.12 g/mol. IUPAC: ethyl 2-[[2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-(2-((6-amino-4-oxo-1-(m-tolyl)-1,4-dihydropyrimidin-2-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Property Insights of ethyl 2-(2-((6-amino-4-oxo-1-(m-tolyl)-1,4-dihydropyrimidin-2-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
The XLogP value of 3.58082 indicates that ethyl 2-(2-((6-amino-4-oxo-1-(m-tolyl)-1,4-dihydropyrimidin-2-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.31 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(2-((6-amino-4-oxo-1-(m-tolyl)-1,4-dihydropyrimidin-2-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-(2-((6-amino-4-oxo-1-(m-tolyl)-1,4-dihydropyrimidin-2-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate has 2 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-((6-amino-4-oxo-1-(m-tolyl)-1,4-dihydropyrimidin-2-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The CAS number of ethyl 2-(2-((6-amino-4-oxo-1-(m-tolyl)-1,4-dihydropyrimidin-2-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is 685132-16-5.
What is the molecular formula of ethyl 2-(2-((6-amino-4-oxo-1-(m-tolyl)-1,4-dihydropyrimidin-2-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The molecular formula of ethyl 2-(2-((6-amino-4-oxo-1-(m-tolyl)-1,4-dihydropyrimidin-2-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is C23H24N4O4S2.
What is the molecular weight of ethyl 2-(2-((6-amino-4-oxo-1-(m-tolyl)-1,4-dihydropyrimidin-2-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The molecular weight of ethyl 2-(2-((6-amino-4-oxo-1-(m-tolyl)-1,4-dihydropyrimidin-2-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is 484.12 g/mol.
Where can I buy ethyl 2-(2-((6-amino-4-oxo-1-(m-tolyl)-1,4-dihydropyrimidin-2-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
You can request a quote for ethyl 2-(2-((6-amino-4-oxo-1-(m-tolyl)-1,4-dihydropyrimidin-2-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[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-((6-amino-4-oxo-1-(m-tolyl)-1,4-dihydropyrimidin-2-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(2-((6-amino-4-oxo-1-(m-tolyl)-1,4-dihydropyrimidin-2-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.