![ethyl 5,5-dimethyl-2-(4-methylpiperazine-1-carboxamido)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate structure](/static/products/904/904009-24-1.png)
ethyl 5,5-dimethyl-2-(4-methylpiperazine-1-carboxamido)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate
TL;DR: ethyl 5,5-dimethyl-2-(4-methylpiperazine-1-carboxamido)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate (CAS 904009-24-1) is a chemical compound with molecular formula C18H27N3O4S and molecular weight 381.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5,5-dimethyl-2-[(4-methylpiperazine-1-carbonyl)amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate
Also Known As: ethyl 5,5-dimethyl-2-(4-methylpiperazine-1-carboxamido)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate, ethyl 5,5-dimethyl-2-[(4-methylpiperazine-1-carbonyl)amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate, ethyl 5,5-dimethyl-2-{[(4-methylpiperazin-1-yl)carbonyl]amino}-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
| Molecular Formula | C18H27N3O4S |
|---|---|
| Molecular Weight | 381.17 g/mol |
| LogP | 2.5554 |
| Topological Polar Surface Area | 71.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 381.17224 |
| Heavy Atoms | 26 |
| Complexity | 692.85345 |
Chemical Identifiers
| CAS Number | 904009-24-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=O)N3CCN(CC3)C |
Product Overview
ethyl 5,5-dimethyl-2-(4-methylpiperazine-1-carboxamido)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate (CAS 904009-24-1), with molecular formula C18H27N3O4S and molecular weight 381.17 g/mol. IUPAC: ethyl 5,5-dimethyl-2-[(4-methylpiperazine-1-carbonyl)amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate.
Chemical Property Profile of ethyl 5,5-dimethyl-2-(4-methylpiperazine-1-carboxamido)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate
Property Insights of ethyl 5,5-dimethyl-2-(4-methylpiperazine-1-carboxamido)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate
The XLogP value of 2.5554 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5,5-dimethyl-2-(4-methylpiperazine-1-carboxamido)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate. The TPSA of 71.11 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5,5-dimethyl-2-(4-methylpiperazine-1-carboxamido)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate. Following Lipinski's Rule of Five, ethyl 5,5-dimethyl-2-(4-methylpiperazine-1-carboxamido)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate has 1 hydrogen bond donor(s) and 6 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 5,5-dimethyl-2-(4-methylpiperazine-1-carboxamido)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate?
The CAS number of ethyl 5,5-dimethyl-2-(4-methylpiperazine-1-carboxamido)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate is 904009-24-1.
What is the molecular formula of ethyl 5,5-dimethyl-2-(4-methylpiperazine-1-carboxamido)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate?
The molecular formula of ethyl 5,5-dimethyl-2-(4-methylpiperazine-1-carboxamido)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate is C18H27N3O4S.
What is the molecular weight of ethyl 5,5-dimethyl-2-(4-methylpiperazine-1-carboxamido)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate?
The molecular weight of ethyl 5,5-dimethyl-2-(4-methylpiperazine-1-carboxamido)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate is 381.17 g/mol.
Where can I buy ethyl 5,5-dimethyl-2-(4-methylpiperazine-1-carboxamido)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate?
You can request a quote for ethyl 5,5-dimethyl-2-(4-methylpiperazine-1-carboxamido)-5,7-dihydro-4H-thieno[2,3-c]pyran-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 5,5-dimethyl-2-(4-methylpiperazine-1-carboxamido)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5,5-dimethyl-2-(4-methylpiperazine-1-carboxamido)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.