![ethyl 2-({[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate structure](/static/products/368/368840-45-3.png)
ethyl 2-({[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
TL;DR: ethyl 2-({[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CAS 368840-45-3) is a chemical compound with molecular formula C19H17N5O3S2 and molecular weight 427.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: ethyl 2-({[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ethyl 2-({[(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl]acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ETHYL 2-({2-[(6-AMINO-3,5-DICYANO-2-PYRIDYL)SULFANYL]ACETYL}AMINO)-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLATE, ethyl 2-(2-((6-amino-3,5-dicyanopyridin-2-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ethyl 2-[[2-(6-amino-3,5-dicyanopyridin-2-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C19H17N5O3S2 |
|---|---|
| Molecular Weight | 427.08 g/mol |
| LogP | 2.86486 |
| Topological Polar Surface Area | 141.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.07727 |
| Heavy Atoms | 29 |
| Complexity | 1065.2627 |
Chemical Identifiers
| CAS Number | 368840-45-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=C(C=C(C(=N3)N)C#N)C#N |
Product Overview
ethyl 2-({[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CAS 368840-45-3), with molecular formula C19H17N5O3S2 and molecular weight 427.08 g/mol. IUPAC: ethyl 2-[[2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-({[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Property Insights of ethyl 2-({[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
The XLogP value of 2.86486 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-({[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate. The TPSA of 141.89 Ų indicates high polarity, suggesting ethyl 2-({[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl 2-({[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-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-({[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The CAS number of ethyl 2-({[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is 368840-45-3.
What is the molecular formula of ethyl 2-({[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The molecular formula of ethyl 2-({[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is C19H17N5O3S2.
What is the molecular weight of ethyl 2-({[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The molecular weight of ethyl 2-({[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is 427.08 g/mol.
Where can I buy ethyl 2-({[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
You can request a quote for ethyl 2-({[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]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 2-({[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-({[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.