![ethyl 2-({[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-4,5-dimethylthiophene-3-carboxylate structure](/static/products/488/488803-99-2.png)
ethyl 2-({[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-4,5-dimethylthiophene-3-carboxylate
TL;DR: ethyl 2-({[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-4,5-dimethylthiophene-3-carboxylate (CAS 488803-99-2) is a chemical compound with molecular formula C19H21N3O4S3 and molecular weight 451.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: ethyl 2-({[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-4,5-dimethylthiophene-3-carboxylate, ethyl 2-(2-((5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate, ethyl 2-[[2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate, ethyl 2-[2-(5,6-dimethyl-4-oxo(3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio))acet ylamino]-4,5-dimethylthiophene-3-carboxylate
| Molecular Formula | C19H21N3O4S3 |
|---|---|
| Molecular Weight | 451.07 g/mol |
| LogP | 4.18728 |
| Topological Polar Surface Area | 101.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 451.06943 |
| Heavy Atoms | 29 |
| Complexity | 1159.8512 |
Chemical Identifiers
| CAS Number | 488803-99-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NC3=C(C(=C(S3)C)C)C(=O)N2 |
Product Overview
ethyl 2-({[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-4,5-dimethylthiophene-3-carboxylate (CAS 488803-99-2), with molecular formula C19H21N3O4S3 and molecular weight 451.07 g/mol. IUPAC: ethyl 2-[[2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-({[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-4,5-dimethylthiophene-3-carboxylate
Property Insights of ethyl 2-({[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-4,5-dimethylthiophene-3-carboxylate
The XLogP value of 4.18728 indicates that ethyl 2-({[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-4,5-dimethylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.15 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-({[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-4,5-dimethylthiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-({[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-4,5-dimethylthiophene-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-({[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-4,5-dimethylthiophene-3-carboxylate?
The CAS number of ethyl 2-({[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-4,5-dimethylthiophene-3-carboxylate is 488803-99-2.
What is the molecular formula of ethyl 2-({[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-4,5-dimethylthiophene-3-carboxylate?
The molecular formula of ethyl 2-({[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-4,5-dimethylthiophene-3-carboxylate is C19H21N3O4S3.
What is the molecular weight of ethyl 2-({[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-4,5-dimethylthiophene-3-carboxylate?
The molecular weight of ethyl 2-({[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-4,5-dimethylthiophene-3-carboxylate is 451.07 g/mol.
Where can I buy ethyl 2-({[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-4,5-dimethylthiophene-3-carboxylate?
You can request a quote for ethyl 2-({[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-4,5-dimethylthiophene-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-({[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-4,5-dimethylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-({[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-4,5-dimethylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.