![(Z)-4-((3-(3-chloro-2-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)amino)-4-oxobutanoic acid structure](/static/products/877/877792-80-8.png)
(Z)-4-((3-(3-chloro-2-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)amino)-4-oxobutanoic acid
TL;DR: (Z)-4-((3-(3-chloro-2-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)amino)-4-oxobutanoic acid (CAS 877792-80-8) is a chemical compound with molecular formula C16H17ClN2O5S2 and molecular weight 416.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-(3-chloro-2-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]amino]-4-oxobutanoic acid
Also Known As: (Z)-4-((3-(3-chloro-2-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)amino)-4-oxobutanoic acid, 4-[[3-(3-chloro-2-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]amino]-4-oxobutanoic acid, 4-{[(2Z)-3-(3-chloro-2-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoic acid
| Molecular Formula | C16H17ClN2O5S2 |
|---|---|
| Molecular Weight | 416.03 g/mol |
| LogP | 2.11462 |
| Topological Polar Surface Area | 104.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.02673 |
| Heavy Atoms | 26 |
| Complexity | 899.90125 |
Chemical Identifiers
| CAS Number | 877792-80-8 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)N2C3CS(=O)(=O)CC3SC2=NC(=O)CCC(=O)O |
Product Overview
(Z)-4-((3-(3-chloro-2-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)amino)-4-oxobutanoic acid (CAS 877792-80-8), with molecular formula C16H17ClN2O5S2 and molecular weight 416.03 g/mol. IUPAC: 4-[[3-(3-chloro-2-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]amino]-4-oxobutanoic acid.
Chemical Property Profile of (Z)-4-((3-(3-chloro-2-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)amino)-4-oxobutanoic acid
Property Insights of (Z)-4-((3-(3-chloro-2-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)amino)-4-oxobutanoic acid
The XLogP value of 2.11462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-4-((3-(3-chloro-2-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)amino)-4-oxobutanoic acid. The TPSA of 104.11 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-4-((3-(3-chloro-2-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)amino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, (Z)-4-((3-(3-chloro-2-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)amino)-4-oxobutanoic acid has 1 hydrogen bond donor(s) and 5 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 (Z)-4-((3-(3-chloro-2-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)amino)-4-oxobutanoic acid?
The CAS number of (Z)-4-((3-(3-chloro-2-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)amino)-4-oxobutanoic acid is 877792-80-8.
What is the molecular formula of (Z)-4-((3-(3-chloro-2-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)amino)-4-oxobutanoic acid?
The molecular formula of (Z)-4-((3-(3-chloro-2-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)amino)-4-oxobutanoic acid is C16H17ClN2O5S2.
What is the molecular weight of (Z)-4-((3-(3-chloro-2-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)amino)-4-oxobutanoic acid?
The molecular weight of (Z)-4-((3-(3-chloro-2-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)amino)-4-oxobutanoic acid is 416.03 g/mol.
Where can I buy (Z)-4-((3-(3-chloro-2-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)amino)-4-oxobutanoic acid?
You can request a quote for (Z)-4-((3-(3-chloro-2-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d]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 (Z)-4-((3-(3-chloro-2-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)amino)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-4-((3-(3-chloro-2-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)amino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.