![(Z)-4-((3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)amino)-4-oxobutanoic acid structure](/static/products/896/896851-81-3.png)
(Z)-4-((3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)amino)-4-oxobutanoic acid
TL;DR: (Z)-4-((3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)amino)-4-oxobutanoic acid (CAS 896851-81-3) is a chemical compound with molecular formula C17H18N2O7S2 and molecular weight 426.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-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-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)amino)-4-oxobutanoic acid, 4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]amino]-4-oxobutanoic acid, 4-{[(2Z)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoic acid
| Molecular Formula | C17H18N2O7S2 |
|---|---|
| Molecular Weight | 426.06 g/mol |
| LogP | 0.924 |
| Topological Polar Surface Area | 122.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 426.05554 |
| Heavy Atoms | 28 |
| Complexity | 960.2526 |
Chemical Identifiers
| CAS Number | 896851-81-3 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)N3C4CS(=O)(=O)CC4SC3=NC(=O)CCC(=O)O |
Product Overview
(Z)-4-((3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)amino)-4-oxobutanoic acid (CAS 896851-81-3), with molecular formula C17H18N2O7S2 and molecular weight 426.06 g/mol. IUPAC: 4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-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-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)amino)-4-oxobutanoic acid
Property Insights of (Z)-4-((3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)amino)-4-oxobutanoic acid
The XLogP value of 0.924 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-4-((3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)amino)-4-oxobutanoic acid. The TPSA of 122.57 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-4-((3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)amino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, (Z)-4-((3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)amino)-4-oxobutanoic acid has 1 hydrogen bond donor(s) and 7 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-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)amino)-4-oxobutanoic acid?
The CAS number of (Z)-4-((3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)amino)-4-oxobutanoic acid is 896851-81-3.
What is the molecular formula of (Z)-4-((3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)amino)-4-oxobutanoic acid?
The molecular formula of (Z)-4-((3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)amino)-4-oxobutanoic acid is C17H18N2O7S2.
What is the molecular weight of (Z)-4-((3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)amino)-4-oxobutanoic acid?
The molecular weight of (Z)-4-((3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)amino)-4-oxobutanoic acid is 426.06 g/mol.
Where can I buy (Z)-4-((3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)amino)-4-oxobutanoic acid?
You can request a quote for (Z)-4-((3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-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-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-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-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-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.