![2-[(Carboxycarbonyl)amino]-4,7-dihydro-5h-thieno[2,3-c]pyran-3,7-dicarboxylic acid 7-ethyl ester structure](/static/products/330/330191-34-9.png)
2-[(Carboxycarbonyl)amino]-4,7-dihydro-5h-thieno[2,3-c]pyran-3,7-dicarboxylic acid 7-ethyl ester
TL;DR: 2-[(Carboxycarbonyl)amino]-4,7-dihydro-5h-thieno[2,3-c]pyran-3,7-dicarboxylic acid 7-ethyl ester (CAS 330191-34-9) is a chemical compound with molecular formula C13H13NO8S and molecular weight 343.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-ethoxycarbonyl-2-(oxaloamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid
Also Known As: 2-[(Carboxycarbonyl)amino]-4,7-dihydro-5h-thieno[2,3-c]pyran-3,7-dicarboxylic acid 7-ethyl ester, 5-ethoxycarbonyl-8-(oxaloamino)-4-oxa-7-thiabicyclo[4.3.0]nona-8,10-diene-9-carboxylic Acid
| Molecular Formula | C13H13NO8S |
|---|---|
| Molecular Weight | 343.04 g/mol |
| LogP | 0.6463 |
| Topological Polar Surface Area | 139.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.0362 |
| Heavy Atoms | 23 |
| Complexity | 679.7595 |
Chemical Identifiers
| CAS Number | 330191-34-9 |
|---|---|
| SMILES | CCOC(=O)C1C2=C(CCO1)C(=C(S2)NC(=O)C(=O)O)C(=O)O |
Product Overview
2-[(Carboxycarbonyl)amino]-4,7-dihydro-5h-thieno[2,3-c]pyran-3,7-dicarboxylic acid 7-ethyl ester (CAS 330191-34-9), with molecular formula C13H13NO8S and molecular weight 343.04 g/mol. IUPAC: 7-ethoxycarbonyl-2-(oxaloamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid.
Chemical Property Profile of 2-[(Carboxycarbonyl)amino]-4,7-dihydro-5h-thieno[2,3-c]pyran-3,7-dicarboxylic acid 7-ethyl ester
Property Insights of 2-[(Carboxycarbonyl)amino]-4,7-dihydro-5h-thieno[2,3-c]pyran-3,7-dicarboxylic acid 7-ethyl ester
The XLogP value of 0.6463 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(Carboxycarbonyl)amino]-4,7-dihydro-5h-thieno[2,3-c]pyran-3,7-dicarboxylic acid 7-ethyl ester. The TPSA of 139.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(Carboxycarbonyl)amino]-4,7-dihydro-5h-thieno[2,3-c]pyran-3,7-dicarboxylic acid 7-ethyl ester. Following Lipinski's Rule of Five, 2-[(Carboxycarbonyl)amino]-4,7-dihydro-5h-thieno[2,3-c]pyran-3,7-dicarboxylic acid 7-ethyl ester has 3 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 2-[(Carboxycarbonyl)amino]-4,7-dihydro-5h-thieno[2,3-c]pyran-3,7-dicarboxylic acid 7-ethyl ester?
The CAS number of 2-[(Carboxycarbonyl)amino]-4,7-dihydro-5h-thieno[2,3-c]pyran-3,7-dicarboxylic acid 7-ethyl ester is 330191-34-9.
What is the molecular formula of 2-[(Carboxycarbonyl)amino]-4,7-dihydro-5h-thieno[2,3-c]pyran-3,7-dicarboxylic acid 7-ethyl ester?
The molecular formula of 2-[(Carboxycarbonyl)amino]-4,7-dihydro-5h-thieno[2,3-c]pyran-3,7-dicarboxylic acid 7-ethyl ester is C13H13NO8S.
What is the molecular weight of 2-[(Carboxycarbonyl)amino]-4,7-dihydro-5h-thieno[2,3-c]pyran-3,7-dicarboxylic acid 7-ethyl ester?
The molecular weight of 2-[(Carboxycarbonyl)amino]-4,7-dihydro-5h-thieno[2,3-c]pyran-3,7-dicarboxylic acid 7-ethyl ester is 343.04 g/mol.
Where can I buy 2-[(Carboxycarbonyl)amino]-4,7-dihydro-5h-thieno[2,3-c]pyran-3,7-dicarboxylic acid 7-ethyl ester?
You can request a quote for 2-[(Carboxycarbonyl)amino]-4,7-dihydro-5h-thieno[2,3-c]pyran-3,7-dicarboxylic acid 7-ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(Carboxycarbonyl)amino]-4,7-dihydro-5h-thieno[2,3-c]pyran-3,7-dicarboxylic acid 7-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-[(Carboxycarbonyl)amino]-4,7-dihydro-5h-thieno[2,3-c]pyran-3,7-dicarboxylic acid 7-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.