![ethyl 2-({[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-4,5-dimethylthiophene-3-carboxylate structure](/static/products/4960/496029-25-5.webp)
ethyl 2-({[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-4,5-dimethylthiophene-3-carboxylate
TL;DR: ethyl 2-({[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-4,5-dimethylthiophene-3-carboxylate (CAS 496029-25-5) is a chemical compound with molecular formula C21H24N4O3S3 and molecular weight 476.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[(4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: ethyl 2-({[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-4,5-dimethylthiophene-3-carboxylate, ethyl 2-(2-((4-amino-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate, ethyl 2-[[2-[(4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate, ethyl 2-[2-(4-amino(5,6,7,8-tetrahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylth io))acetylamino]-4,5-dimethylthiophene-3-carboxylate
| Molecular Formula | C21H24N4O3S3 |
|---|---|
| Molecular Weight | 476.10 g/mol |
| LogP | 4.73814 |
| Topological Polar Surface Area | 107.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 476.10104 |
| Heavy Atoms | 31 |
| Complexity | 1168.7766 |
Chemical Identifiers
| CAS Number | 496029-25-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NC(=C3C4=C(CCCC4)SC3=N2)N |
Product Overview
ethyl 2-({[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-4,5-dimethylthiophene-3-carboxylate (CAS 496029-25-5), with molecular formula C21H24N4O3S3 and molecular weight 476.10 g/mol. IUPAC: ethyl 2-[[2-[(4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-({[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-4,5-dimethylthiophene-3-carboxylate
Property Insights of ethyl 2-({[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-4,5-dimethylthiophene-3-carboxylate
The XLogP value of 4.73814 indicates that ethyl 2-({[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[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 107.2 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-({[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-4,5-dimethylthiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-({[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-4,5-dimethylthiophene-3-carboxylate has 2 hydrogen bond donor(s) and 9 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-({[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-4,5-dimethylthiophene-3-carboxylate?
The CAS number of ethyl 2-({[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-4,5-dimethylthiophene-3-carboxylate is 496029-25-5.
What is the molecular formula of ethyl 2-({[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-4,5-dimethylthiophene-3-carboxylate?
The molecular formula of ethyl 2-({[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-4,5-dimethylthiophene-3-carboxylate is C21H24N4O3S3.
What is the molecular weight of ethyl 2-({[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-4,5-dimethylthiophene-3-carboxylate?
The molecular weight of ethyl 2-({[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-4,5-dimethylthiophene-3-carboxylate is 476.10 g/mol.
Where can I buy ethyl 2-({[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-4,5-dimethylthiophene-3-carboxylate?
You can request a quote for ethyl 2-({[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[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-({[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-4,5-dimethylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-({[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[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.