![4-{[(2Z)-5,5-dioxido-3-[4-(trifluoromethoxy)phenyl]tetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoic acid structure](/static/products/879/879937-76-5.png)
4-{[(2Z)-5,5-dioxido-3-[4-(trifluoromethoxy)phenyl]tetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoic acid
TL;DR: 4-{[(2Z)-5,5-dioxido-3-[4-(trifluoromethoxy)phenyl]tetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoic acid (CAS 879937-76-5) is a chemical compound with molecular formula C16H15F3N2O6S2 and molecular weight 452.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[5,5-dioxo-3-[4-(trifluoromethoxy)phenyl]-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]amino]-4-oxobutanoic acid
Also Known As: 4-{[(2Z)-5,5-dioxido-3-[4-(trifluoromethoxy)phenyl]tetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoic acid, (Z)-4-((5,5-dioxido-3-(4-(trifluoromethoxy)phenyl)tetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)amino)-4-oxobutanoic acid, 4-[[5,5-dioxo-3-[4-(trifluoromethoxy)phenyl]-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]amino]-4-oxobutanoic acid, 5-{5,5-dioxo-1-[4-(trifluoromethoxy)phenyl](1,3,4,6,3a,6a-hexahydro-3,5-dithia -1-azapentalen-2-ylidene)}-4-oxo-5-azapentanoic acid
| Molecular Formula | C16H15F3N2O6S2 |
|---|---|
| Molecular Weight | 452.03 g/mol |
| LogP | 2.0514 |
| Topological Polar Surface Area | 113.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 452.03235 |
| Heavy Atoms | 29 |
| Complexity | 946.3969 |
Chemical Identifiers
| CAS Number | 879937-76-5 |
|---|---|
| SMILES | C1C2C(CS1(=O)=O)SC(=NC(=O)CCC(=O)O)N2C3=CC=C(C=C3)OC(F)(F)F |
Product Overview
4-{[(2Z)-5,5-dioxido-3-[4-(trifluoromethoxy)phenyl]tetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoic acid (CAS 879937-76-5), with molecular formula C16H15F3N2O6S2 and molecular weight 452.03 g/mol. IUPAC: 4-[[5,5-dioxo-3-[4-(trifluoromethoxy)phenyl]-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]amino]-4-oxobutanoic acid.
Chemical Property Profile of 4-{[(2Z)-5,5-dioxido-3-[4-(trifluoromethoxy)phenyl]tetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoic acid
Property Insights of 4-{[(2Z)-5,5-dioxido-3-[4-(trifluoromethoxy)phenyl]tetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoic acid
The XLogP value of 2.0514 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[(2Z)-5,5-dioxido-3-[4-(trifluoromethoxy)phenyl]tetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoic acid. The TPSA of 113.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(2Z)-5,5-dioxido-3-[4-(trifluoromethoxy)phenyl]tetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-{[(2Z)-5,5-dioxido-3-[4-(trifluoromethoxy)phenyl]tetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoic acid 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 4-{[(2Z)-5,5-dioxido-3-[4-(trifluoromethoxy)phenyl]tetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoic acid?
The CAS number of 4-{[(2Z)-5,5-dioxido-3-[4-(trifluoromethoxy)phenyl]tetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoic acid is 879937-76-5.
What is the molecular formula of 4-{[(2Z)-5,5-dioxido-3-[4-(trifluoromethoxy)phenyl]tetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoic acid?
The molecular formula of 4-{[(2Z)-5,5-dioxido-3-[4-(trifluoromethoxy)phenyl]tetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoic acid is C16H15F3N2O6S2.
What is the molecular weight of 4-{[(2Z)-5,5-dioxido-3-[4-(trifluoromethoxy)phenyl]tetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoic acid?
The molecular weight of 4-{[(2Z)-5,5-dioxido-3-[4-(trifluoromethoxy)phenyl]tetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoic acid is 452.03 g/mol.
Where can I buy 4-{[(2Z)-5,5-dioxido-3-[4-(trifluoromethoxy)phenyl]tetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoic acid?
You can request a quote for 4-{[(2Z)-5,5-dioxido-3-[4-(trifluoromethoxy)phenyl]tetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]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-{[(2Z)-5,5-dioxido-3-[4-(trifluoromethoxy)phenyl]tetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(2Z)-5,5-dioxido-3-[4-(trifluoromethoxy)phenyl]tetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.