![(E)-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-(3-ethyl-6-fluorobenzo[d]thiazol-2(3H)-ylidene)benzamide structure](/static/products/850/850910-30-4.png)
(E)-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-(3-ethyl-6-fluorobenzo[d]thiazol-2(3H)-ylidene)benzamide
TL;DR: (E)-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-(3-ethyl-6-fluorobenzo[d]thiazol-2(3H)-ylidene)benzamide (CAS 850910-30-4) is a chemical compound with molecular formula C25H22FN3O3S2 and molecular weight 495.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzamide
Also Known As: (E)-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-(3-ethyl-6-fluorobenzo[d]thiazol-2(3H)-ylidene)benzamide, F0566-0302, 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzamide, N-[(2E)-3-ethyl-6-fluoro-2,3-dihydro-1,3-benzothiazol-2-ylidene]-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide, 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-ethyl-6-fluoro-benzothiazol-2-ylidene)benzamide
| Molecular Formula | C25H22FN3O3S2 |
|---|---|
| Molecular Weight | 495.11 g/mol |
| LogP | 4.3499 |
| Topological Polar Surface Area | 71.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 495.10867 |
| Heavy Atoms | 34 |
| Complexity | 1571.2513 |
Chemical Identifiers
| CAS Number | 850910-30-4 |
|---|---|
| SMILES | CCN1C2=C(C=C(C=C2)F)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4 |
Product Overview
(E)-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-(3-ethyl-6-fluorobenzo[d]thiazol-2(3H)-ylidene)benzamide (CAS 850910-30-4), with molecular formula C25H22FN3O3S2 and molecular weight 495.11 g/mol. IUPAC: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzamide.
Chemical Property Profile of (E)-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-(3-ethyl-6-fluorobenzo[d]thiazol-2(3H)-ylidene)benzamide
Property Insights of (E)-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-(3-ethyl-6-fluorobenzo[d]thiazol-2(3H)-ylidene)benzamide
The XLogP value of 4.3499 indicates that (E)-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-(3-ethyl-6-fluorobenzo[d]thiazol-2(3H)-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 (E)-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-(3-ethyl-6-fluorobenzo[d]thiazol-2(3H)-ylidene)benzamide. Following Lipinski's Rule of Five, (E)-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-(3-ethyl-6-fluorobenzo[d]thiazol-2(3H)-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 (E)-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-(3-ethyl-6-fluorobenzo[d]thiazol-2(3H)-ylidene)benzamide?
The CAS number of (E)-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-(3-ethyl-6-fluorobenzo[d]thiazol-2(3H)-ylidene)benzamide is 850910-30-4.
What is the molecular formula of (E)-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-(3-ethyl-6-fluorobenzo[d]thiazol-2(3H)-ylidene)benzamide?
The molecular formula of (E)-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-(3-ethyl-6-fluorobenzo[d]thiazol-2(3H)-ylidene)benzamide is C25H22FN3O3S2.
What is the molecular weight of (E)-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-(3-ethyl-6-fluorobenzo[d]thiazol-2(3H)-ylidene)benzamide?
The molecular weight of (E)-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-(3-ethyl-6-fluorobenzo[d]thiazol-2(3H)-ylidene)benzamide is 495.11 g/mol.
Where can I buy (E)-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-(3-ethyl-6-fluorobenzo[d]thiazol-2(3H)-ylidene)benzamide?
You can request a quote for (E)-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-(3-ethyl-6-fluorobenzo[d]thiazol-2(3H)-ylidene)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-(3-ethyl-6-fluorobenzo[d]thiazol-2(3H)-ylidene)benzamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-(3-ethyl-6-fluorobenzo[d]thiazol-2(3H)-ylidene)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.