![4-(2,5-dioxopyrrolidin-1-yl)-N-[(2E)-3-ethyl-6-fluoro-2,3-dihydro-1,3-benzothiazol-2-ylidene]benzamide structure](/static/products/865/865544-97-4.png)
4-(2,5-dioxopyrrolidin-1-yl)-N-[(2E)-3-ethyl-6-fluoro-2,3-dihydro-1,3-benzothiazol-2-ylidene]benzamide
TL;DR: 4-(2,5-dioxopyrrolidin-1-yl)-N-[(2E)-3-ethyl-6-fluoro-2,3-dihydro-1,3-benzothiazol-2-ylidene]benzamide (CAS 865544-97-4) is a chemical compound with molecular formula C20H16FN3O3S and molecular weight 397.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,5-dioxopyrrolidin-1-yl)-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzamide
Also Known As: 4-(2,5-dioxopyrrolidin-1-yl)-N-[(2E)-3-ethyl-6-fluoro-2,3-dihydro-1,3-benzothiazol-2-ylidene]benzamide, F1381-1021, 4-(2,5-dioxopyrrolidin-1-yl)-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzamide, (E)-4-(2,5-dioxopyrrolidin-1-yl)-N-(3-ethyl-6-fluorobenzo[d]thiazol-2(3H)-ylidene)benzamide
| Molecular Formula | C20H16FN3O3S |
|---|---|
| Molecular Weight | 397.09 g/mol |
| LogP | 3.2563 |
| Topological Polar Surface Area | 71.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 397.08963 |
| Heavy Atoms | 28 |
| Complexity | 1161.6193 |
Chemical Identifiers
| CAS Number | 865544-97-4 |
|---|---|
| SMILES | CCN1C2=C(C=C(C=C2)F)SC1=NC(=O)C3=CC=C(C=C3)N4C(=O)CCC4=O |
Product Overview
4-(2,5-dioxopyrrolidin-1-yl)-N-[(2E)-3-ethyl-6-fluoro-2,3-dihydro-1,3-benzothiazol-2-ylidene]benzamide (CAS 865544-97-4), with molecular formula C20H16FN3O3S and molecular weight 397.09 g/mol. IUPAC: 4-(2,5-dioxopyrrolidin-1-yl)-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzamide.
Chemical Property Profile of 4-(2,5-dioxopyrrolidin-1-yl)-N-[(2E)-3-ethyl-6-fluoro-2,3-dihydro-1,3-benzothiazol-2-ylidene]benzamide
Property Insights of 4-(2,5-dioxopyrrolidin-1-yl)-N-[(2E)-3-ethyl-6-fluoro-2,3-dihydro-1,3-benzothiazol-2-ylidene]benzamide
The XLogP value of 3.2563 indicates that 4-(2,5-dioxopyrrolidin-1-yl)-N-[(2E)-3-ethyl-6-fluoro-2,3-dihydro-1,3-benzothiazol-2-ylidene]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,5-dioxopyrrolidin-1-yl)-N-[(2E)-3-ethyl-6-fluoro-2,3-dihydro-1,3-benzothiazol-2-ylidene]benzamide. Following Lipinski's Rule of Five, 4-(2,5-dioxopyrrolidin-1-yl)-N-[(2E)-3-ethyl-6-fluoro-2,3-dihydro-1,3-benzothiazol-2-ylidene]benzamide 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 4-(2,5-dioxopyrrolidin-1-yl)-N-[(2E)-3-ethyl-6-fluoro-2,3-dihydro-1,3-benzothiazol-2-ylidene]benzamide?
The CAS number of 4-(2,5-dioxopyrrolidin-1-yl)-N-[(2E)-3-ethyl-6-fluoro-2,3-dihydro-1,3-benzothiazol-2-ylidene]benzamide is 865544-97-4.
What is the molecular formula of 4-(2,5-dioxopyrrolidin-1-yl)-N-[(2E)-3-ethyl-6-fluoro-2,3-dihydro-1,3-benzothiazol-2-ylidene]benzamide?
The molecular formula of 4-(2,5-dioxopyrrolidin-1-yl)-N-[(2E)-3-ethyl-6-fluoro-2,3-dihydro-1,3-benzothiazol-2-ylidene]benzamide is C20H16FN3O3S.
What is the molecular weight of 4-(2,5-dioxopyrrolidin-1-yl)-N-[(2E)-3-ethyl-6-fluoro-2,3-dihydro-1,3-benzothiazol-2-ylidene]benzamide?
The molecular weight of 4-(2,5-dioxopyrrolidin-1-yl)-N-[(2E)-3-ethyl-6-fluoro-2,3-dihydro-1,3-benzothiazol-2-ylidene]benzamide is 397.09 g/mol.
Where can I buy 4-(2,5-dioxopyrrolidin-1-yl)-N-[(2E)-3-ethyl-6-fluoro-2,3-dihydro-1,3-benzothiazol-2-ylidene]benzamide?
You can request a quote for 4-(2,5-dioxopyrrolidin-1-yl)-N-[(2E)-3-ethyl-6-fluoro-2,3-dihydro-1,3-benzothiazol-2-ylidene]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,5-dioxopyrrolidin-1-yl)-N-[(2E)-3-ethyl-6-fluoro-2,3-dihydro-1,3-benzothiazol-2-ylidene]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,5-dioxopyrrolidin-1-yl)-N-[(2E)-3-ethyl-6-fluoro-2,3-dihydro-1,3-benzothiazol-2-ylidene]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.