![ethyl 4-(2-((3-cyano-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)amino)-2-oxoacetyl)piperazine-1-carboxylate structure](/static/products/903/903585-82-0.png)
ethyl 4-(2-((3-cyano-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)amino)-2-oxoacetyl)piperazine-1-carboxylate
TL;DR: ethyl 4-(2-((3-cyano-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)amino)-2-oxoacetyl)piperazine-1-carboxylate (CAS 903585-82-0) is a chemical compound with molecular formula C19H24N4O5S and molecular weight 420.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-[(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)amino]-2-oxoacetyl]piperazine-1-carboxylate
Also Known As: ethyl 4-(2-((3-cyano-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)amino)-2-oxoacetyl)piperazine-1-carboxylate, ethyl 4-[2-[(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)amino]-2-oxoacetyl]piperazine-1-carboxylate, ethyl 4-{[(3-cyano-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)amino](oxo)acetyl}piperazine-1-carboxylate
| Molecular Formula | C19H24N4O5S |
|---|---|
| Molecular Weight | 420.15 g/mol |
| LogP | 1.71028 |
| Topological Polar Surface Area | 111.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 420.14673 |
| Heavy Atoms | 29 |
| Complexity | 864.6859 |
Chemical Identifiers
| CAS Number | 903585-82-0 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)C(=O)NC2=C(C3=C(S2)COC(C3)(C)C)C#N |
Product Overview
ethyl 4-(2-((3-cyano-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)amino)-2-oxoacetyl)piperazine-1-carboxylate (CAS 903585-82-0), with molecular formula C19H24N4O5S and molecular weight 420.15 g/mol. IUPAC: ethyl 4-[2-[(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)amino]-2-oxoacetyl]piperazine-1-carboxylate.
Chemical Property Profile of ethyl 4-(2-((3-cyano-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)amino)-2-oxoacetyl)piperazine-1-carboxylate
Property Insights of ethyl 4-(2-((3-cyano-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)amino)-2-oxoacetyl)piperazine-1-carboxylate
The XLogP value of 1.71028 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-(2-((3-cyano-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)amino)-2-oxoacetyl)piperazine-1-carboxylate. The TPSA of 111.97 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(2-((3-cyano-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)amino)-2-oxoacetyl)piperazine-1-carboxylate. Following Lipinski's Rule of Five, ethyl 4-(2-((3-cyano-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)amino)-2-oxoacetyl)piperazine-1-carboxylate has 1 hydrogen bond donor(s) and 7 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-(2-((3-cyano-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)amino)-2-oxoacetyl)piperazine-1-carboxylate?
The CAS number of ethyl 4-(2-((3-cyano-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)amino)-2-oxoacetyl)piperazine-1-carboxylate is 903585-82-0.
What is the molecular formula of ethyl 4-(2-((3-cyano-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)amino)-2-oxoacetyl)piperazine-1-carboxylate?
The molecular formula of ethyl 4-(2-((3-cyano-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)amino)-2-oxoacetyl)piperazine-1-carboxylate is C19H24N4O5S.
What is the molecular weight of ethyl 4-(2-((3-cyano-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)amino)-2-oxoacetyl)piperazine-1-carboxylate?
The molecular weight of ethyl 4-(2-((3-cyano-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)amino)-2-oxoacetyl)piperazine-1-carboxylate is 420.15 g/mol.
Where can I buy ethyl 4-(2-((3-cyano-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)amino)-2-oxoacetyl)piperazine-1-carboxylate?
You can request a quote for ethyl 4-(2-((3-cyano-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)amino)-2-oxoacetyl)piperazine-1-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-(2-((3-cyano-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)amino)-2-oxoacetyl)piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(2-((3-cyano-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)amino)-2-oxoacetyl)piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.