![ethyl 4-methyl-2-[[2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate structure](/static/products/5011/501112-73-8.webp)
ethyl 4-methyl-2-[[2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate
TL;DR: ethyl 4-methyl-2-[[2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate (CAS 501112-73-8) is a chemical compound with molecular formula C20H22N4O4S3 and molecular weight 478.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-methyl-2-[[2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate
Also Known As: ethyl 4-methyl-2-[[2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate, AF-399/41767711, ethyl 4-methyl-2-({[(3-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-1,3-thiazole-5-carboxylate, ethyl 4-methyl-2-(2-((3-methyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamido)thiazole-5-carboxylate, ethyl 4-methyl-2-[2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3- d]pyrimidin-2-ylthio))acetylamino]-1,3-thiazole-5-carboxylate
| Molecular Formula | C20H22N4O4S3 |
|---|---|
| Molecular Weight | 478.08 g/mol |
| LogP | 3.54622 |
| Topological Polar Surface Area | 103.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 478.08032 |
| Heavy Atoms | 31 |
| Complexity | 1227.4462 |
Chemical Identifiers
| CAS Number | 501112-73-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C)C |
Product Overview
ethyl 4-methyl-2-[[2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate (CAS 501112-73-8), with molecular formula C20H22N4O4S3 and molecular weight 478.08 g/mol. IUPAC: ethyl 4-methyl-2-[[2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate.
Chemical Property Profile of ethyl 4-methyl-2-[[2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate
Property Insights of ethyl 4-methyl-2-[[2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate
The XLogP value of 3.54622 indicates that ethyl 4-methyl-2-[[2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.18 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-methyl-2-[[2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate. Following Lipinski's Rule of Five, ethyl 4-methyl-2-[[2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate has 1 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 4-methyl-2-[[2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate?
The CAS number of ethyl 4-methyl-2-[[2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate is 501112-73-8.
What is the molecular formula of ethyl 4-methyl-2-[[2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate?
The molecular formula of ethyl 4-methyl-2-[[2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate is C20H22N4O4S3.
What is the molecular weight of ethyl 4-methyl-2-[[2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate?
The molecular weight of ethyl 4-methyl-2-[[2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate is 478.08 g/mol.
Where can I buy ethyl 4-methyl-2-[[2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate?
You can request a quote for ethyl 4-methyl-2-[[2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-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-methyl-2-[[2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-methyl-2-[[2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.