![ethyl 4,5-dimethyl-2-(2-((4-oxo-3-phenyl-5-(p-tolyl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)thiophene-3-carboxylate structure](/static/products/5001/500112-88-9.webp)
ethyl 4,5-dimethyl-2-(2-((4-oxo-3-phenyl-5-(p-tolyl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)thiophene-3-carboxylate
TL;DR: ethyl 4,5-dimethyl-2-(2-((4-oxo-3-phenyl-5-(p-tolyl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)thiophene-3-carboxylate (CAS 500112-88-9) is a chemical compound with molecular formula C30H27N3O4S3 and molecular weight 589.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,5-dimethyl-2-[[2-[5-(4-methylphenyl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxylate
Also Known As: ethyl 4,5-dimethyl-2-(2-((4-oxo-3-phenyl-5-(p-tolyl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)thiophene-3-carboxylate, ethyl 4,5-dimethyl-2-(2-{[5-(4-methylphenyl)-4-oxo-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamido)thiophene-3-carboxylate, F1142-6493, ethyl 4,5-dimethyl-2-[[2-[5-(4-methylphenyl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxylate, ethyl 4,5-dimethyl-2-{2-[5-(4-methylphenyl)-4-oxo-3-phenyl(3-hydrothiopheno[2, 3-d]pyrimidin-2-ylthio)]acetylamino}thiophene-3-carboxylate
| Molecular Formula | C30H27N3O4S3 |
|---|---|
| Molecular Weight | 589.12 g/mol |
| LogP | 7.00846 |
| Topological Polar Surface Area | 90.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 589.1164 |
| Heavy Atoms | 40 |
| Complexity | 1770.3156 |
Chemical Identifiers
| CAS Number | 500112-88-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NC3=C(C(=CS3)C4=CC=C(C=C4)C)C(=O)N2C5=CC=CC=C5 |
Product Overview
ethyl 4,5-dimethyl-2-(2-((4-oxo-3-phenyl-5-(p-tolyl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)thiophene-3-carboxylate (CAS 500112-88-9), with molecular formula C30H27N3O4S3 and molecular weight 589.12 g/mol. IUPAC: ethyl 4,5-dimethyl-2-[[2-[5-(4-methylphenyl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of ethyl 4,5-dimethyl-2-(2-((4-oxo-3-phenyl-5-(p-tolyl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)thiophene-3-carboxylate
Property Insights of ethyl 4,5-dimethyl-2-(2-((4-oxo-3-phenyl-5-(p-tolyl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)thiophene-3-carboxylate
The XLogP value of 7.00846 indicates that ethyl 4,5-dimethyl-2-(2-((4-oxo-3-phenyl-5-(p-tolyl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)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 4,5-dimethyl-2-(2-((4-oxo-3-phenyl-5-(p-tolyl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)thiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 4,5-dimethyl-2-(2-((4-oxo-3-phenyl-5-(p-tolyl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 4,5-dimethyl-2-(2-((4-oxo-3-phenyl-5-(p-tolyl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)thiophene-3-carboxylate?
The CAS number of ethyl 4,5-dimethyl-2-(2-((4-oxo-3-phenyl-5-(p-tolyl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)thiophene-3-carboxylate is 500112-88-9.
What is the molecular formula of ethyl 4,5-dimethyl-2-(2-((4-oxo-3-phenyl-5-(p-tolyl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)thiophene-3-carboxylate?
The molecular formula of ethyl 4,5-dimethyl-2-(2-((4-oxo-3-phenyl-5-(p-tolyl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)thiophene-3-carboxylate is C30H27N3O4S3.
What is the molecular weight of ethyl 4,5-dimethyl-2-(2-((4-oxo-3-phenyl-5-(p-tolyl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)thiophene-3-carboxylate?
The molecular weight of ethyl 4,5-dimethyl-2-(2-((4-oxo-3-phenyl-5-(p-tolyl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)thiophene-3-carboxylate is 589.12 g/mol.
Where can I buy ethyl 4,5-dimethyl-2-(2-((4-oxo-3-phenyl-5-(p-tolyl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)thiophene-3-carboxylate?
You can request a quote for ethyl 4,5-dimethyl-2-(2-((4-oxo-3-phenyl-5-(p-tolyl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)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 4,5-dimethyl-2-(2-((4-oxo-3-phenyl-5-(p-tolyl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4,5-dimethyl-2-(2-((4-oxo-3-phenyl-5-(p-tolyl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.