![2-ethyl-N-[(2E)-3-(4-fluorobenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]butanamide structure](/static/products/900/900869-59-2.png)
2-ethyl-N-[(2E)-3-(4-fluorobenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]butanamide
TL;DR: 2-ethyl-N-[(2E)-3-(4-fluorobenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]butanamide (CAS 900869-59-2) is a chemical compound with molecular formula C18H23FN2O3S2 and molecular weight 398.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-N-[3-[(4-fluorophenyl)methyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]butanamide
Also Known As: 2-ethyl-N-[(2E)-3-(4-fluorobenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]butanamide, (Z)-2-ethyl-N-(3-(4-fluorobenzyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)butanamide, 2-ethyl-N-[3-[(4-fluorophenyl)methyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]butanamide, 5-(3-ethyl-2-oxo-1-azapentylidene)-4-[(4-fluorophenyl)methyl]-1,3,4,6,3a,6a-he xahydro-2,6-dithia-4-azapentalene-2,2-dione
| Molecular Formula | C18H23FN2O3S2 |
|---|---|
| Molecular Weight | 398.11 g/mol |
| LogP | 2.8589 |
| Topological Polar Surface Area | 66.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.1134 |
| Heavy Atoms | 26 |
| Complexity | 804.23004 |
Chemical Identifiers
| CAS Number | 900869-59-2 |
|---|---|
| SMILES | CCC(CC)C(=O)N=C1N(C2CS(=O)(=O)CC2S1)CC3=CC=C(C=C3)F |
Product Overview
2-ethyl-N-[(2E)-3-(4-fluorobenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]butanamide (CAS 900869-59-2), with molecular formula C18H23FN2O3S2 and molecular weight 398.11 g/mol. IUPAC: 2-ethyl-N-[3-[(4-fluorophenyl)methyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]butanamide.
Chemical Property Profile of 2-ethyl-N-[(2E)-3-(4-fluorobenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]butanamide
Property Insights of 2-ethyl-N-[(2E)-3-(4-fluorobenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]butanamide
The XLogP value of 2.8589 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-ethyl-N-[(2E)-3-(4-fluorobenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]butanamide. The TPSA of 66.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-ethyl-N-[(2E)-3-(4-fluorobenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]butanamide. Following Lipinski's Rule of Five, 2-ethyl-N-[(2E)-3-(4-fluorobenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]butanamide has 0 hydrogen bond donor(s) and 4 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 2-ethyl-N-[(2E)-3-(4-fluorobenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]butanamide?
The CAS number of 2-ethyl-N-[(2E)-3-(4-fluorobenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]butanamide is 900869-59-2.
What is the molecular formula of 2-ethyl-N-[(2E)-3-(4-fluorobenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]butanamide?
The molecular formula of 2-ethyl-N-[(2E)-3-(4-fluorobenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]butanamide is C18H23FN2O3S2.
What is the molecular weight of 2-ethyl-N-[(2E)-3-(4-fluorobenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]butanamide?
The molecular weight of 2-ethyl-N-[(2E)-3-(4-fluorobenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]butanamide is 398.11 g/mol.
Where can I buy 2-ethyl-N-[(2E)-3-(4-fluorobenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]butanamide?
You can request a quote for 2-ethyl-N-[(2E)-3-(4-fluorobenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-ethyl-N-[(2E)-3-(4-fluorobenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]butanamide?
Yes, KEHONG BIO provides custom synthesis services for 2-ethyl-N-[(2E)-3-(4-fluorobenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.