N-(4-fluoro-1,3-benzothiazol-2-yl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide
TL;DR: N-(4-fluoro-1,3-benzothiazol-2-yl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide (CAS 862807-25-8) is a chemical compound with molecular formula C23H18FN3O3S2 and molecular weight 467.08 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-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
Also Known As: N-(4-fluoro-1,3-benzothiazol-2-yl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide, F0600-0357, 4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-(4-fluorobenzo[d]thiazol-2-yl)benzamide, 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
| Molecular Formula | C23H18FN3O3S2 |
|---|---|
| Molecular Weight | 467.08 g/mol |
| LogP | 4.4347 |
| Topological Polar Surface Area | 79.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 467.07736 |
| Heavy Atoms | 32 |
| Complexity | 1432.6613 |
Chemical Identifiers
| CAS Number | 862807-25-8 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=NC5=C(C=CC=C5S4)F |
Product Overview
N-(4-fluoro-1,3-benzothiazol-2-yl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide (CAS 862807-25-8), with molecular formula C23H18FN3O3S2 and molecular weight 467.08 g/mol. IUPAC: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide.
Chemical Property Profile of N-(4-fluoro-1,3-benzothiazol-2-yl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide
Property Insights of N-(4-fluoro-1,3-benzothiazol-2-yl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide
The XLogP value of 4.4347 indicates that N-(4-fluoro-1,3-benzothiazol-2-yl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.37 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-fluoro-1,3-benzothiazol-2-yl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide. Following Lipinski's Rule of Five, N-(4-fluoro-1,3-benzothiazol-2-yl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide has 1 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 N-(4-fluoro-1,3-benzothiazol-2-yl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide?
The CAS number of N-(4-fluoro-1,3-benzothiazol-2-yl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide is 862807-25-8.
What is the molecular formula of N-(4-fluoro-1,3-benzothiazol-2-yl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide?
The molecular formula of N-(4-fluoro-1,3-benzothiazol-2-yl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide is C23H18FN3O3S2.
What is the molecular weight of N-(4-fluoro-1,3-benzothiazol-2-yl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide?
The molecular weight of N-(4-fluoro-1,3-benzothiazol-2-yl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide is 467.08 g/mol.
Where can I buy N-(4-fluoro-1,3-benzothiazol-2-yl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide?
You can request a quote for N-(4-fluoro-1,3-benzothiazol-2-yl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-fluoro-1,3-benzothiazol-2-yl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-fluoro-1,3-benzothiazol-2-yl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.