![N-[(2E)-3-(1,3-benzodioxol-5-ylmethyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-phenylacetamide structure](/static/products/900/900889-01-2.png)
N-[(2E)-3-(1,3-benzodioxol-5-ylmethyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-phenylacetamide
TL;DR: N-[(2E)-3-(1,3-benzodioxol-5-ylmethyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-phenylacetamide (CAS 900889-01-2) is a chemical compound with molecular formula C21H20N2O5S2 and molecular weight 444.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(1,3-benzodioxol-5-ylmethyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]-2-phenylacetamide
Also Known As: N-[(2E)-3-(1,3-benzodioxol-5-ylmethyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-phenylacetamide, (E)-N-(3-(benzo[d][1,3]dioxol-5-ylmethyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-phenylacetamide, 4-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)-5-(2-oxo-3-phenyl-1-azapropylidene) -1,3,4,6,3a,6a-hexahydro-2,6-dithia-4-azapentalene-2,2-dione, N-[3-(1,3-benzodioxol-5-ylmethyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]-2-phenylacetamide
| Molecular Formula | C21H20N2O5S2 |
|---|---|
| Molecular Weight | 444.08 g/mol |
| LogP | 2.255 |
| Topological Polar Surface Area | 85.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 444.08136 |
| Heavy Atoms | 30 |
| Complexity | 1117.4716 |
Chemical Identifiers
| CAS Number | 900889-01-2 |
|---|---|
| SMILES | C1C2C(CS1(=O)=O)SC(=NC(=O)CC3=CC=CC=C3)N2CC4=CC5=C(C=C4)OCO5 |
Product Overview
N-[(2E)-3-(1,3-benzodioxol-5-ylmethyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-phenylacetamide (CAS 900889-01-2), with molecular formula C21H20N2O5S2 and molecular weight 444.08 g/mol. IUPAC: N-[3-(1,3-benzodioxol-5-ylmethyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]-2-phenylacetamide.
Chemical Property Profile of N-[(2E)-3-(1,3-benzodioxol-5-ylmethyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-phenylacetamide
Property Insights of N-[(2E)-3-(1,3-benzodioxol-5-ylmethyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-phenylacetamide
The XLogP value of 2.255 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(2E)-3-(1,3-benzodioxol-5-ylmethyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-phenylacetamide. The TPSA of 85.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(2E)-3-(1,3-benzodioxol-5-ylmethyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-phenylacetamide. Following Lipinski's Rule of Five, N-[(2E)-3-(1,3-benzodioxol-5-ylmethyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-phenylacetamide has 0 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 N-[(2E)-3-(1,3-benzodioxol-5-ylmethyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-phenylacetamide?
The CAS number of N-[(2E)-3-(1,3-benzodioxol-5-ylmethyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-phenylacetamide is 900889-01-2.
What is the molecular formula of N-[(2E)-3-(1,3-benzodioxol-5-ylmethyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-phenylacetamide?
The molecular formula of N-[(2E)-3-(1,3-benzodioxol-5-ylmethyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-phenylacetamide is C21H20N2O5S2.
What is the molecular weight of N-[(2E)-3-(1,3-benzodioxol-5-ylmethyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-phenylacetamide?
The molecular weight of N-[(2E)-3-(1,3-benzodioxol-5-ylmethyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-phenylacetamide is 444.08 g/mol.
Where can I buy N-[(2E)-3-(1,3-benzodioxol-5-ylmethyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-phenylacetamide?
You can request a quote for N-[(2E)-3-(1,3-benzodioxol-5-ylmethyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-phenylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(2E)-3-(1,3-benzodioxol-5-ylmethyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-phenylacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(2E)-3-(1,3-benzodioxol-5-ylmethyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-phenylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.