![5-{[(2Z)-3-(3-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-5-oxopentanoic acid structure](/static/products/896/896831-22-4.png)
5-{[(2Z)-3-(3-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-5-oxopentanoic acid
TL;DR: 5-{[(2Z)-3-(3-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-5-oxopentanoic acid (CAS 896831-22-4) is a chemical compound with molecular formula C17H20N2O5S2 and molecular weight 396.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[3-(3-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]amino]-5-oxopentanoic acid
Also Known As: 5-{[(2Z)-3-(3-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-5-oxopentanoic acid, (Z)-5-((5,5-dioxido-3-(m-tolyl)tetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)amino)-5-oxopentanoic acid, 5-[[3-(3-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]amino]-5-oxopentanoic acid, 6-[1-(3-methylphenyl)-5,5-dioxo(1,3,4,6,3a,6a-hexahydro-3,5-dithia-1-azapental en-2-ylidene)]-5-oxo-6-azahexanoic acid
| Molecular Formula | C17H20N2O5S2 |
|---|---|
| Molecular Weight | 396.08 g/mol |
| LogP | 1.85132 |
| Topological Polar Surface Area | 104.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.08136 |
| Heavy Atoms | 26 |
| Complexity | 865.6591 |
Chemical Identifiers
| CAS Number | 896831-22-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C3CS(=O)(=O)CC3SC2=NC(=O)CCCC(=O)O |
Product Overview
5-{[(2Z)-3-(3-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-5-oxopentanoic acid (CAS 896831-22-4), with molecular formula C17H20N2O5S2 and molecular weight 396.08 g/mol. IUPAC: 5-[[3-(3-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]amino]-5-oxopentanoic acid.
Chemical Property Profile of 5-{[(2Z)-3-(3-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-5-oxopentanoic acid
Property Insights of 5-{[(2Z)-3-(3-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-5-oxopentanoic acid
The XLogP value of 1.85132 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-{[(2Z)-3-(3-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-5-oxopentanoic acid. The TPSA of 104.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-{[(2Z)-3-(3-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-5-oxopentanoic acid. Following Lipinski's Rule of Five, 5-{[(2Z)-3-(3-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-5-oxopentanoic 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 5-{[(2Z)-3-(3-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-5-oxopentanoic acid?
The CAS number of 5-{[(2Z)-3-(3-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-5-oxopentanoic acid is 896831-22-4.
What is the molecular formula of 5-{[(2Z)-3-(3-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-5-oxopentanoic acid?
The molecular formula of 5-{[(2Z)-3-(3-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-5-oxopentanoic acid is C17H20N2O5S2.
What is the molecular weight of 5-{[(2Z)-3-(3-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-5-oxopentanoic acid?
The molecular weight of 5-{[(2Z)-3-(3-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-5-oxopentanoic acid is 396.08 g/mol.
Where can I buy 5-{[(2Z)-3-(3-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-5-oxopentanoic acid?
You can request a quote for 5-{[(2Z)-3-(3-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-5-oxopentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-{[(2Z)-3-(3-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-5-oxopentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-{[(2Z)-3-(3-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-5-oxopentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.