![4-{[(2Z)-3-[2-(4-methoxyphenyl)ethyl]-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoic acid structure](/static/products/1164/1164534-80-8.webp)
4-{[(2Z)-3-[2-(4-methoxyphenyl)ethyl]-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoic acid
TL;DR: 4-{[(2Z)-3-[2-(4-methoxyphenyl)ethyl]-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoic acid (CAS 1164534-80-8) is a chemical compound with molecular formula C18H22N2O6S2 and molecular weight 426.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-[2-(4-methoxyphenyl)ethyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]amino]-4-oxobutanoic acid
Also Known As: 4-{[(2Z)-3-[2-(4-methoxyphenyl)ethyl]-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoic acid, (Z)-4-((3-(4-methoxyphenethyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)amino)-4-oxobutanoic acid, 4-[[3-[2-(4-methoxyphenyl)ethyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]amino]-4-oxobutanoic acid, 5-{1-[2-(4-methoxyphenyl)ethyl]-5,5-dioxo(1,3,4,6,3a,6a-hexahydro-3,5-dithia-1 -azapentalen-2-ylidene)}-4-oxo-5-azapentanoic acid, N-[3-[2-(4-Methoxy-phenyl)-ethyl]-5,5-dioxo-hexahydro-5lambda*6*-thieno[3,4-d]thiazol-(2Z)-ylidene]-su ccinamic acid
| Molecular Formula | C18H22N2O6S2 |
|---|---|
| Molecular Weight | 426.09 g/mol |
| LogP | 1.1995 |
| Topological Polar Surface Area | 113.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 426.09192 |
| Heavy Atoms | 28 |
| Complexity | 881.84186 |
Chemical Identifiers
| CAS Number | 1164534-80-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CCN2C3CS(=O)(=O)CC3SC2=NC(=O)CCC(=O)O |
Product Overview
4-{[(2Z)-3-[2-(4-methoxyphenyl)ethyl]-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoic acid (CAS 1164534-80-8), with molecular formula C18H22N2O6S2 and molecular weight 426.09 g/mol. IUPAC: 4-[[3-[2-(4-methoxyphenyl)ethyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]amino]-4-oxobutanoic acid.
Chemical Property Profile of 4-{[(2Z)-3-[2-(4-methoxyphenyl)ethyl]-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoic acid
Property Insights of 4-{[(2Z)-3-[2-(4-methoxyphenyl)ethyl]-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoic acid
The XLogP value of 1.1995 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[(2Z)-3-[2-(4-methoxyphenyl)ethyl]-5,5-dioxidotetrahydrothieno[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)-3-[2-(4-methoxyphenyl)ethyl]-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-{[(2Z)-3-[2-(4-methoxyphenyl)ethyl]-5,5-dioxidotetrahydrothieno[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)-3-[2-(4-methoxyphenyl)ethyl]-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoic acid?
The CAS number of 4-{[(2Z)-3-[2-(4-methoxyphenyl)ethyl]-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoic acid is 1164534-80-8.
What is the molecular formula of 4-{[(2Z)-3-[2-(4-methoxyphenyl)ethyl]-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoic acid?
The molecular formula of 4-{[(2Z)-3-[2-(4-methoxyphenyl)ethyl]-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoic acid is C18H22N2O6S2.
What is the molecular weight of 4-{[(2Z)-3-[2-(4-methoxyphenyl)ethyl]-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoic acid?
The molecular weight of 4-{[(2Z)-3-[2-(4-methoxyphenyl)ethyl]-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoic acid is 426.09 g/mol.
Where can I buy 4-{[(2Z)-3-[2-(4-methoxyphenyl)ethyl]-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoic acid?
You can request a quote for 4-{[(2Z)-3-[2-(4-methoxyphenyl)ethyl]-5,5-dioxidotetrahydrothieno[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)-3-[2-(4-methoxyphenyl)ethyl]-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(2Z)-3-[2-(4-methoxyphenyl)ethyl]-5,5-dioxidotetrahydrothieno[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.