![(Z)-N-(3-(2-chloro-5-(trifluoromethyl)phenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide structure](/static/products/900/900889-22-7.png)
(Z)-N-(3-(2-chloro-5-(trifluoromethyl)phenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide
TL;DR: (Z)-N-(3-(2-chloro-5-(trifluoromethyl)phenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide (CAS 900889-22-7) is a chemical compound with molecular formula C15H11ClF3N3O3S2 and molecular weight 436.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[2-chloro-5-(trifluoromethyl)phenyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]-2-cyanoacetamide
Also Known As: (Z)-N-(3-(2-chloro-5-(trifluoromethyl)phenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide, 4-{1-[2-chloro-5-(trifluoromethyl)phenyl]-5,5-dioxo(1,3,4,6,3a,6a-hexahydro-3, 5-dithia-1-azapentalen-2-ylidene)}-3-oxo-4-azabutanenitrile, N-[(2Z)-3-[2-chloro-5-(trifluoromethyl)phenyl]-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-cyanoacetamide, N-[3-[2-chloro-5-(trifluoromethyl)phenyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]-2-cyanoacetamide
| Molecular Formula | C15H11ClF3N3O3S2 |
|---|---|
| Molecular Weight | 436.99 g/mol |
| LogP | 2.87388 |
| Topological Polar Surface Area | 90.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 436.98825 |
| Heavy Atoms | 27 |
| Complexity | 972.7448 |
Chemical Identifiers
| CAS Number | 900889-22-7 |
|---|---|
| SMILES | C1C2C(CS1(=O)=O)SC(=NC(=O)CC#N)N2C3=C(C=CC(=C3)C(F)(F)F)Cl |
Product Overview
(Z)-N-(3-(2-chloro-5-(trifluoromethyl)phenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide (CAS 900889-22-7), with molecular formula C15H11ClF3N3O3S2 and molecular weight 436.99 g/mol. IUPAC: N-[3-[2-chloro-5-(trifluoromethyl)phenyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]-2-cyanoacetamide.
Chemical Property Profile of (Z)-N-(3-(2-chloro-5-(trifluoromethyl)phenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide
Property Insights of (Z)-N-(3-(2-chloro-5-(trifluoromethyl)phenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide
The XLogP value of 2.87388 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-N-(3-(2-chloro-5-(trifluoromethyl)phenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide. The TPSA of 90.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-N-(3-(2-chloro-5-(trifluoromethyl)phenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide. Following Lipinski's Rule of Five, (Z)-N-(3-(2-chloro-5-(trifluoromethyl)phenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide has 0 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 (Z)-N-(3-(2-chloro-5-(trifluoromethyl)phenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide?
The CAS number of (Z)-N-(3-(2-chloro-5-(trifluoromethyl)phenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide is 900889-22-7.
What is the molecular formula of (Z)-N-(3-(2-chloro-5-(trifluoromethyl)phenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide?
The molecular formula of (Z)-N-(3-(2-chloro-5-(trifluoromethyl)phenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide is C15H11ClF3N3O3S2.
What is the molecular weight of (Z)-N-(3-(2-chloro-5-(trifluoromethyl)phenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide?
The molecular weight of (Z)-N-(3-(2-chloro-5-(trifluoromethyl)phenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide is 436.99 g/mol.
Where can I buy (Z)-N-(3-(2-chloro-5-(trifluoromethyl)phenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide?
You can request a quote for (Z)-N-(3-(2-chloro-5-(trifluoromethyl)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-(2-chloro-5-(trifluoromethyl)phenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide?
Yes, KEHONG BIO provides custom synthesis services for (Z)-N-(3-(2-chloro-5-(trifluoromethyl)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.