![(2E)-4-{[3-(ethoxycarbonyl)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl]amino}-4-oxobut-2-enoic acid structure](/static/products/3721/372155-22-1.webp)
(2E)-4-{[3-(ethoxycarbonyl)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl]amino}-4-oxobut-2-enoic acid
TL;DR: (2E)-4-{[3-(ethoxycarbonyl)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl]amino}-4-oxobut-2-enoic acid (CAS 372155-22-1) is a chemical compound with molecular formula C16H19NO6S and molecular weight 353.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[(3-ethoxycarbonyl-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)amino]-4-oxobut-2-enoic acid
Also Known As: (2E)-4-{[3-(ethoxycarbonyl)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl]amino}-4-oxobut-2-enoic acid, (E)-4-((3-(ethoxycarbonyl)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)amino)-4-oxobut-2-enoic acid, (E)-4-[(3-ethoxycarbonyl-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)amino]-4-oxobut-2-enoic acid, 4-{[3-(ETHOXYCARBONYL)-5,5-DIMETHYL-4,7-DIHYDRO-5H-THIENO[2,3-C]PYRAN-2-YL]AMINO}-4-OXO-2-BUTENOIC ACID
| Molecular Formula | C16H19NO6S |
|---|---|
| Molecular Weight | 353.09 g/mol |
| LogP | 2.3554 |
| Topological Polar Surface Area | 101.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 353.09332 |
| Heavy Atoms | 24 |
| Complexity | 703.66595 |
Chemical Identifiers
| CAS Number | 372155-22-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=O)/C=C/C(=O)O |
Product Overview
(2E)-4-{[3-(ethoxycarbonyl)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl]amino}-4-oxobut-2-enoic acid (CAS 372155-22-1), with molecular formula C16H19NO6S and molecular weight 353.09 g/mol. IUPAC: (E)-4-[(3-ethoxycarbonyl-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)amino]-4-oxobut-2-enoic acid.
Chemical Property Profile of (2E)-4-{[3-(ethoxycarbonyl)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl]amino}-4-oxobut-2-enoic acid
Property Insights of (2E)-4-{[3-(ethoxycarbonyl)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl]amino}-4-oxobut-2-enoic acid
The XLogP value of 2.3554 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-4-{[3-(ethoxycarbonyl)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl]amino}-4-oxobut-2-enoic acid. The TPSA of 101.93 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-4-{[3-(ethoxycarbonyl)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl]amino}-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, (2E)-4-{[3-(ethoxycarbonyl)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl]amino}-4-oxobut-2-enoic 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 (2E)-4-{[3-(ethoxycarbonyl)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl]amino}-4-oxobut-2-enoic acid?
The CAS number of (2E)-4-{[3-(ethoxycarbonyl)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl]amino}-4-oxobut-2-enoic acid is 372155-22-1.
What is the molecular formula of (2E)-4-{[3-(ethoxycarbonyl)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl]amino}-4-oxobut-2-enoic acid?
The molecular formula of (2E)-4-{[3-(ethoxycarbonyl)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl]amino}-4-oxobut-2-enoic acid is C16H19NO6S.
What is the molecular weight of (2E)-4-{[3-(ethoxycarbonyl)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl]amino}-4-oxobut-2-enoic acid?
The molecular weight of (2E)-4-{[3-(ethoxycarbonyl)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl]amino}-4-oxobut-2-enoic acid is 353.09 g/mol.
Where can I buy (2E)-4-{[3-(ethoxycarbonyl)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl]amino}-4-oxobut-2-enoic acid?
You can request a quote for (2E)-4-{[3-(ethoxycarbonyl)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl]amino}-4-oxobut-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-4-{[3-(ethoxycarbonyl)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl]amino}-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-4-{[3-(ethoxycarbonyl)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl]amino}-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.