![2-({[4-(ethoxycarbonyl)piperazin-1-yl]carbonyl}amino)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid structure](/static/products/903/903585-83-1.png)
2-({[4-(ethoxycarbonyl)piperazin-1-yl]carbonyl}amino)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid
TL;DR: 2-({[4-(ethoxycarbonyl)piperazin-1-yl]carbonyl}amino)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid (CAS 903585-83-1) is a chemical compound with molecular formula C18H25N3O6S and molecular weight 411.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-ethoxycarbonylpiperazine-1-carbonyl)amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid
Also Known As: 2-({[4-(ethoxycarbonyl)piperazin-1-yl]carbonyl}amino)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid, 2-(4-(ethoxycarbonyl)piperazine-1-carboxamido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid, 2-[(4-ethoxycarbonylpiperazine-1-carbonyl)amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid
| Molecular Formula | C18H25N3O6S |
|---|---|
| Molecular Weight | 411.15 g/mol |
| LogP | 2.6036 |
| Topological Polar Surface Area | 108.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 411.1464 |
| Heavy Atoms | 28 |
| Complexity | 782.52905 |
Chemical Identifiers
| CAS Number | 903585-83-1 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)O |
Product Overview
2-({[4-(ethoxycarbonyl)piperazin-1-yl]carbonyl}amino)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid (CAS 903585-83-1), with molecular formula C18H25N3O6S and molecular weight 411.15 g/mol. IUPAC: 2-[(4-ethoxycarbonylpiperazine-1-carbonyl)amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid.
Chemical Property Profile of 2-({[4-(ethoxycarbonyl)piperazin-1-yl]carbonyl}amino)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid
Property Insights of 2-({[4-(ethoxycarbonyl)piperazin-1-yl]carbonyl}amino)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid
The XLogP value of 2.6036 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-({[4-(ethoxycarbonyl)piperazin-1-yl]carbonyl}amino)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid. The TPSA of 108.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({[4-(ethoxycarbonyl)piperazin-1-yl]carbonyl}amino)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid. Following Lipinski's Rule of Five, 2-({[4-(ethoxycarbonyl)piperazin-1-yl]carbonyl}amino)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid has 2 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 2-({[4-(ethoxycarbonyl)piperazin-1-yl]carbonyl}amino)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid?
The CAS number of 2-({[4-(ethoxycarbonyl)piperazin-1-yl]carbonyl}amino)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid is 903585-83-1.
What is the molecular formula of 2-({[4-(ethoxycarbonyl)piperazin-1-yl]carbonyl}amino)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid?
The molecular formula of 2-({[4-(ethoxycarbonyl)piperazin-1-yl]carbonyl}amino)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid is C18H25N3O6S.
What is the molecular weight of 2-({[4-(ethoxycarbonyl)piperazin-1-yl]carbonyl}amino)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid?
The molecular weight of 2-({[4-(ethoxycarbonyl)piperazin-1-yl]carbonyl}amino)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid is 411.15 g/mol.
Where can I buy 2-({[4-(ethoxycarbonyl)piperazin-1-yl]carbonyl}amino)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid?
You can request a quote for 2-({[4-(ethoxycarbonyl)piperazin-1-yl]carbonyl}amino)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({[4-(ethoxycarbonyl)piperazin-1-yl]carbonyl}amino)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-({[4-(ethoxycarbonyl)piperazin-1-yl]carbonyl}amino)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.