![(E)-N-(3-(benzo[d][1,3]dioxol-5-ylmethyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide structure](/static/products/900/900256-86-2.png)
(E)-N-(3-(benzo[d][1,3]dioxol-5-ylmethyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide
TL;DR: (E)-N-(3-(benzo[d][1,3]dioxol-5-ylmethyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide (CAS 900256-86-2) is a chemical compound with molecular formula C16H15N3O5S2 and molecular weight 393.05 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-cyanoacetamide
Also Known As: (E)-N-(3-(benzo[d][1,3]dioxol-5-ylmethyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide, 4-[1-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)-5,5-dioxo(1,3,4,6,3a,6a-hexahydr o-3,5-dithia-1-azapentalen-2-ylidene)]-3-oxo-4-azabutanenitrile, N-[(2E)-3-(1,3-benzodioxol-5-ylmethyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-cyanoacetamide, N-[3-(1,3-benzodioxol-5-ylmethyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]-2-cyanoacetamide
| Molecular Formula | C16H15N3O5S2 |
|---|---|
| Molecular Weight | 393.05 g/mol |
| LogP | 0.92598 |
| Topological Polar Surface Area | 109.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 393.04532 |
| Heavy Atoms | 26 |
| Complexity | 937.69385 |
Chemical Identifiers
| CAS Number | 900256-86-2 |
|---|---|
| SMILES | C1C2C(CS1(=O)=O)SC(=NC(=O)CC#N)N2CC3=CC4=C(C=C3)OCO4 |
Product Overview
(E)-N-(3-(benzo[d][1,3]dioxol-5-ylmethyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide (CAS 900256-86-2), with molecular formula C16H15N3O5S2 and molecular weight 393.05 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-cyanoacetamide.
Chemical Property Profile of (E)-N-(3-(benzo[d][1,3]dioxol-5-ylmethyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide
Property Insights of (E)-N-(3-(benzo[d][1,3]dioxol-5-ylmethyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide
The XLogP value of 0.92598 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-N-(3-(benzo[d][1,3]dioxol-5-ylmethyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide. The TPSA of 109.06 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-(3-(benzo[d][1,3]dioxol-5-ylmethyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide. Following Lipinski's Rule of Five, (E)-N-(3-(benzo[d][1,3]dioxol-5-ylmethyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide has 0 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 (E)-N-(3-(benzo[d][1,3]dioxol-5-ylmethyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide?
The CAS number of (E)-N-(3-(benzo[d][1,3]dioxol-5-ylmethyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide is 900256-86-2.
What is the molecular formula of (E)-N-(3-(benzo[d][1,3]dioxol-5-ylmethyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide?
The molecular formula of (E)-N-(3-(benzo[d][1,3]dioxol-5-ylmethyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide is C16H15N3O5S2.
What is the molecular weight of (E)-N-(3-(benzo[d][1,3]dioxol-5-ylmethyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide?
The molecular weight of (E)-N-(3-(benzo[d][1,3]dioxol-5-ylmethyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide is 393.05 g/mol.
Where can I buy (E)-N-(3-(benzo[d][1,3]dioxol-5-ylmethyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide?
You can request a quote for (E)-N-(3-(benzo[d][1,3]dioxol-5-ylmethyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-(3-(benzo[d][1,3]dioxol-5-ylmethyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-(3-(benzo[d][1,3]dioxol-5-ylmethyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.