![(Z)-N-(3-(4-(benzyloxy)phenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide structure](/static/products/900/900886-97-7.png)
(Z)-N-(3-(4-(benzyloxy)phenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide
TL;DR: (Z)-N-(3-(4-(benzyloxy)phenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide (CAS 900886-97-7) is a chemical compound with molecular formula C21H19N3O4S2 and molecular weight 441.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-N-[5,5-dioxo-3-(4-phenylmethoxyphenyl)-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]acetamide
Also Known As: (Z)-N-(3-(4-(benzyloxy)phenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide, 2-cyano-N-[5,5-dioxo-3-(4-phenylmethoxyphenyl)-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]acetamide, 4-{5,5-dioxo-1-[4-(phenylmethoxy)phenyl](1,3,4,6,3a,6a-hexahydro-3,5-dithia-1- azapentalen-2-ylidene)}-3-oxo-4-azabutanenitrile, N-[(2Z)-3-[4-(benzyloxy)phenyl]-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-cyanoacetamide
| Molecular Formula | C21H19N3O4S2 |
|---|---|
| Molecular Weight | 441.08 g/mol |
| LogP | 2.78068 |
| Topological Polar Surface Area | 99.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 441.0817 |
| Heavy Atoms | 30 |
| Complexity | 1109.1906 |
Chemical Identifiers
| CAS Number | 900886-97-7 |
|---|---|
| SMILES | C1C2C(CS1(=O)=O)SC(=NC(=O)CC#N)N2C3=CC=C(C=C3)OCC4=CC=CC=C4 |
Product Overview
(Z)-N-(3-(4-(benzyloxy)phenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide (CAS 900886-97-7), with molecular formula C21H19N3O4S2 and molecular weight 441.08 g/mol. IUPAC: 2-cyano-N-[5,5-dioxo-3-(4-phenylmethoxyphenyl)-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]acetamide.
Chemical Property Profile of (Z)-N-(3-(4-(benzyloxy)phenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide
Property Insights of (Z)-N-(3-(4-(benzyloxy)phenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide
The XLogP value of 2.78068 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-N-(3-(4-(benzyloxy)phenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide. The TPSA of 99.83 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-N-(3-(4-(benzyloxy)phenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide. Following Lipinski's Rule of Five, (Z)-N-(3-(4-(benzyloxy)phenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide 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 (Z)-N-(3-(4-(benzyloxy)phenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide?
The CAS number of (Z)-N-(3-(4-(benzyloxy)phenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide is 900886-97-7.
What is the molecular formula of (Z)-N-(3-(4-(benzyloxy)phenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide?
The molecular formula of (Z)-N-(3-(4-(benzyloxy)phenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide is C21H19N3O4S2.
What is the molecular weight of (Z)-N-(3-(4-(benzyloxy)phenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide?
The molecular weight of (Z)-N-(3-(4-(benzyloxy)phenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide is 441.08 g/mol.
Where can I buy (Z)-N-(3-(4-(benzyloxy)phenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide?
You can request a quote for (Z)-N-(3-(4-(benzyloxy)phenyl)-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 (Z)-N-(3-(4-(benzyloxy)phenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide?
Yes, KEHONG BIO provides custom synthesis services for (Z)-N-(3-(4-(benzyloxy)phenyl)-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.