![(Z)-N-(3-(3,4-dimethoxyphenethyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-ethylbutanamide structure](/static/products/896/896850-41-2.png)
(Z)-N-(3-(3,4-dimethoxyphenethyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-ethylbutanamide
TL;DR: (Z)-N-(3-(3,4-dimethoxyphenethyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-ethylbutanamide (CAS 896850-41-2) is a chemical compound with molecular formula C21H30N2O5S2 and molecular weight 454.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]-2-ethylbutanamide
Also Known As: (Z)-N-(3-(3,4-dimethoxyphenethyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-ethylbutanamide, N-[(2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-ethylbutanamide, N-[3-[2-(3,4-Dimethoxy-phenyl)-ethyl]-5,5-dioxo-hexahydro-5lambda*6*-thieno[3,4-d]thiazol-(2Z)-yliden e]-2-ethyl-butyramide, N-[3-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]-2-ethylbutanamide
| Molecular Formula | C21H30N2O5S2 |
|---|---|
| Molecular Weight | 454.16 g/mol |
| LogP | 2.7795 |
| Topological Polar Surface Area | 85.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 454.1596 |
| Heavy Atoms | 30 |
| Complexity | 911.97186 |
Chemical Identifiers
| CAS Number | 896850-41-2 |
|---|---|
| SMILES | CCC(CC)C(=O)N=C1N(C2CS(=O)(=O)CC2S1)CCC3=CC(=C(C=C3)OC)OC |
Product Overview
(Z)-N-(3-(3,4-dimethoxyphenethyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-ethylbutanamide (CAS 896850-41-2), with molecular formula C21H30N2O5S2 and molecular weight 454.16 g/mol. IUPAC: N-[3-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]-2-ethylbutanamide.
Chemical Property Profile of (Z)-N-(3-(3,4-dimethoxyphenethyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-ethylbutanamide
Property Insights of (Z)-N-(3-(3,4-dimethoxyphenethyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-ethylbutanamide
The XLogP value of 2.7795 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-N-(3-(3,4-dimethoxyphenethyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-ethylbutanamide. The TPSA of 85.27 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-N-(3-(3,4-dimethoxyphenethyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-ethylbutanamide. Following Lipinski's Rule of Five, (Z)-N-(3-(3,4-dimethoxyphenethyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-ethylbutanamide 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-(3,4-dimethoxyphenethyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-ethylbutanamide?
The CAS number of (Z)-N-(3-(3,4-dimethoxyphenethyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-ethylbutanamide is 896850-41-2.
What is the molecular formula of (Z)-N-(3-(3,4-dimethoxyphenethyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-ethylbutanamide?
The molecular formula of (Z)-N-(3-(3,4-dimethoxyphenethyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-ethylbutanamide is C21H30N2O5S2.
What is the molecular weight of (Z)-N-(3-(3,4-dimethoxyphenethyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-ethylbutanamide?
The molecular weight of (Z)-N-(3-(3,4-dimethoxyphenethyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-ethylbutanamide is 454.16 g/mol.
Where can I buy (Z)-N-(3-(3,4-dimethoxyphenethyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-ethylbutanamide?
You can request a quote for (Z)-N-(3-(3,4-dimethoxyphenethyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-ethylbutanamide 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-(3,4-dimethoxyphenethyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-ethylbutanamide?
Yes, KEHONG BIO provides custom synthesis services for (Z)-N-(3-(3,4-dimethoxyphenethyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-ethylbutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.