![4-((3-cyano-5-ethyl-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)amino)-4-oxobutanoic acid structure](/static/products/375/375357-87-2.png)
4-((3-cyano-5-ethyl-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)amino)-4-oxobutanoic acid
TL;DR: 4-((3-cyano-5-ethyl-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)amino)-4-oxobutanoic acid (CAS 375357-87-2) is a chemical compound with molecular formula C15H18N2O4S and molecular weight 322.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-cyano-5-ethyl-5-methyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)amino]-4-oxobutanoic acid
Also Known As: 4-((3-cyano-5-ethyl-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)amino)-4-oxobutanoic acid, 4-[(3-cyano-5-ethyl-5-methyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)amino]-4-oxobutanoic acid, 4-[(3-cyano-5-ethyl-5-methyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)amino]-4-oxobutanoic acid
| Molecular Formula | C15H18N2O4S |
|---|---|
| Molecular Weight | 322.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 322.09872 |
| Heavy Atoms | 22 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 375357-87-2 |
|---|---|
| SMILES | CCC1(CC2=C(CO1)SC(=C2C#N)NC(=O)CCC(=O)O)C |
| InChIKey | FLHAQYLDRODBIJ-UHFFFAOYSA-N |
Product Overview
4-((3-cyano-5-ethyl-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)amino)-4-oxobutanoic acid (CAS 375357-87-2), with molecular formula C15H18N2O4S and molecular weight 322.10 g/mol. IUPAC: 4-[(3-cyano-5-ethyl-5-methyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)amino]-4-oxobutanoic acid.
Chemical Property Profile of 4-((3-cyano-5-ethyl-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)amino)-4-oxobutanoic acid
Property Insights of 4-((3-cyano-5-ethyl-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)amino)-4-oxobutanoic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((3-cyano-5-ethyl-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)amino)-4-oxobutanoic acid. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((3-cyano-5-ethyl-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)amino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-((3-cyano-5-ethyl-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)amino)-4-oxobutanoic 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 4-((3-cyano-5-ethyl-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)amino)-4-oxobutanoic acid?
The CAS number of 4-((3-cyano-5-ethyl-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)amino)-4-oxobutanoic acid is 375357-87-2.
What is the molecular formula of 4-((3-cyano-5-ethyl-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)amino)-4-oxobutanoic acid?
The molecular formula of 4-((3-cyano-5-ethyl-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)amino)-4-oxobutanoic acid is C15H18N2O4S.
What is the molecular weight of 4-((3-cyano-5-ethyl-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)amino)-4-oxobutanoic acid?
The molecular weight of 4-((3-cyano-5-ethyl-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)amino)-4-oxobutanoic acid is 322.10 g/mol.
Where can I buy 4-((3-cyano-5-ethyl-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)amino)-4-oxobutanoic acid?
You can request a quote for 4-((3-cyano-5-ethyl-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)amino)-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((3-cyano-5-ethyl-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)amino)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((3-cyano-5-ethyl-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)amino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.