![ethyl 4,5-dimethyl-2-[2-(4-oxo-3-phenyl(3,5,6,7-tetrahydrocyclopenta[2,1-d]pyr imidino[4,5-b]thiophen-2-ylthio))acetylamino]thiophene-3-carboxylate structure](/static/products/3792/379249-44-2.webp)
ethyl 4,5-dimethyl-2-[2-(4-oxo-3-phenyl(3,5,6,7-tetrahydrocyclopenta[2,1-d]pyr imidino[4,5-b]thiophen-2-ylthio))acetylamino]thiophene-3-carboxylate
TL;DR: ethyl 4,5-dimethyl-2-[2-(4-oxo-3-phenyl(3,5,6,7-tetrahydrocyclopenta[2,1-d]pyr imidino[4,5-b]thiophen-2-ylthio))acetylamino]thiophene-3-carboxylate (CAS 379249-44-2) is a chemical compound with molecular formula C26H25N3O4S3 and molecular weight 539.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,5-dimethyl-2-[[2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate
Also Known As: ethyl 4,5-dimethyl-2-[2-(4-oxo-3-phenyl(3,5,6,7-tetrahydrocyclopenta[2,1-d]pyr imidino[4,5-b]thiophen-2-ylthio))acetylamino]thiophene-3-carboxylate, ETHYL 4,5-DIMETHYL-2-({[(4-OXO-3-PHENYL-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETYL}AMINO)-3-THIOPHENECARBOXYLATE, ethyl 4,5-dimethyl-2-({[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)thiophene-3-carboxylate, ethyl 4,5-dimethyl-2-(2-((4-oxo-3-phenyl-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamido)thiophene-3-carboxylate
| Molecular Formula | C26H25N3O4S3 |
|---|---|
| Molecular Weight | 539.10 g/mol |
| LogP | 5.52174 |
| Topological Polar Surface Area | 90.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 539.1007 |
| Heavy Atoms | 36 |
| Complexity | 1535.7864 |
Chemical Identifiers
| CAS Number | 379249-44-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NC3=C(C4=C(S3)CCC4)C(=O)N2C5=CC=CC=C5 |
Product Overview
ethyl 4,5-dimethyl-2-[2-(4-oxo-3-phenyl(3,5,6,7-tetrahydrocyclopenta[2,1-d]pyr imidino[4,5-b]thiophen-2-ylthio))acetylamino]thiophene-3-carboxylate (CAS 379249-44-2), with molecular formula C26H25N3O4S3 and molecular weight 539.10 g/mol. IUPAC: ethyl 4,5-dimethyl-2-[[2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of ethyl 4,5-dimethyl-2-[2-(4-oxo-3-phenyl(3,5,6,7-tetrahydrocyclopenta[2,1-d]pyr imidino[4,5-b]thiophen-2-ylthio))acetylamino]thiophene-3-carboxylate
Property Insights of ethyl 4,5-dimethyl-2-[2-(4-oxo-3-phenyl(3,5,6,7-tetrahydrocyclopenta[2,1-d]pyr imidino[4,5-b]thiophen-2-ylthio))acetylamino]thiophene-3-carboxylate
The XLogP value of 5.52174 indicates that ethyl 4,5-dimethyl-2-[2-(4-oxo-3-phenyl(3,5,6,7-tetrahydrocyclopenta[2,1-d]pyr imidino[4,5-b]thiophen-2-ylthio))acetylamino]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(3,5,6,7-tetrahydrocyclopenta[2,1-d]pyr imidino[4,5-b]thiophen-2-ylthio))acetylamino]thiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 4,5-dimethyl-2-[2-(4-oxo-3-phenyl(3,5,6,7-tetrahydrocyclopenta[2,1-d]pyr imidino[4,5-b]thiophen-2-ylthio))acetylamino]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(3,5,6,7-tetrahydrocyclopenta[2,1-d]pyr imidino[4,5-b]thiophen-2-ylthio))acetylamino]thiophene-3-carboxylate?
The CAS number of ethyl 4,5-dimethyl-2-[2-(4-oxo-3-phenyl(3,5,6,7-tetrahydrocyclopenta[2,1-d]pyr imidino[4,5-b]thiophen-2-ylthio))acetylamino]thiophene-3-carboxylate is 379249-44-2.
What is the molecular formula of ethyl 4,5-dimethyl-2-[2-(4-oxo-3-phenyl(3,5,6,7-tetrahydrocyclopenta[2,1-d]pyr imidino[4,5-b]thiophen-2-ylthio))acetylamino]thiophene-3-carboxylate?
The molecular formula of ethyl 4,5-dimethyl-2-[2-(4-oxo-3-phenyl(3,5,6,7-tetrahydrocyclopenta[2,1-d]pyr imidino[4,5-b]thiophen-2-ylthio))acetylamino]thiophene-3-carboxylate is C26H25N3O4S3.
What is the molecular weight of ethyl 4,5-dimethyl-2-[2-(4-oxo-3-phenyl(3,5,6,7-tetrahydrocyclopenta[2,1-d]pyr imidino[4,5-b]thiophen-2-ylthio))acetylamino]thiophene-3-carboxylate?
The molecular weight of ethyl 4,5-dimethyl-2-[2-(4-oxo-3-phenyl(3,5,6,7-tetrahydrocyclopenta[2,1-d]pyr imidino[4,5-b]thiophen-2-ylthio))acetylamino]thiophene-3-carboxylate is 539.10 g/mol.
Where can I buy ethyl 4,5-dimethyl-2-[2-(4-oxo-3-phenyl(3,5,6,7-tetrahydrocyclopenta[2,1-d]pyr imidino[4,5-b]thiophen-2-ylthio))acetylamino]thiophene-3-carboxylate?
You can request a quote for ethyl 4,5-dimethyl-2-[2-(4-oxo-3-phenyl(3,5,6,7-tetrahydrocyclopenta[2,1-d]pyr imidino[4,5-b]thiophen-2-ylthio))acetylamino]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(3,5,6,7-tetrahydrocyclopenta[2,1-d]pyr imidino[4,5-b]thiophen-2-ylthio))acetylamino]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4,5-dimethyl-2-[2-(4-oxo-3-phenyl(3,5,6,7-tetrahydrocyclopenta[2,1-d]pyr imidino[4,5-b]thiophen-2-ylthio))acetylamino]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.