N-(2-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)ethyl)-4-fluorobenzamide
TL;DR: N-(2-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)ethyl)-4-fluorobenzamide (CAS 899739-79-8) is a chemical compound with molecular formula C18H19FN2O3S and molecular weight 362.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-4-fluorobenzamide
Also Known As: VU0496001-1, F2751-0430, N-(2-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)ethyl)-4-fluorobenzamide, 4-fluoro-N-[2-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)ethyl]benzamide, N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-4-fluorobenzamide
| Molecular Formula | C18H19FN2O3S |
|---|---|
| Molecular Weight | 362.11 g/mol |
| LogP | 1.9436 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.11005 |
| Heavy Atoms | 25 |
| Complexity | 866.14484 |
Chemical Identifiers
| CAS Number | 899739-79-8 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)S(=O)(=O)CCNC(=O)C3=CC=C(C=C3)F |
Product Overview
N-(2-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)ethyl)-4-fluorobenzamide (CAS 899739-79-8), with molecular formula C18H19FN2O3S and molecular weight 362.11 g/mol. IUPAC: N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-4-fluorobenzamide.
Chemical Property Profile of N-(2-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)ethyl)-4-fluorobenzamide
Property Insights of N-(2-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)ethyl)-4-fluorobenzamide
The XLogP value of 1.9436 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)ethyl)-4-fluorobenzamide. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)ethyl)-4-fluorobenzamide. Following Lipinski's Rule of Five, N-(2-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)ethyl)-4-fluorobenzamide has 1 hydrogen bond donor(s) and 3 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-(2-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)ethyl)-4-fluorobenzamide?
The CAS number of N-(2-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)ethyl)-4-fluorobenzamide is 899739-79-8.
What is the molecular formula of N-(2-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)ethyl)-4-fluorobenzamide?
The molecular formula of N-(2-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)ethyl)-4-fluorobenzamide is C18H19FN2O3S.
What is the molecular weight of N-(2-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)ethyl)-4-fluorobenzamide?
The molecular weight of N-(2-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)ethyl)-4-fluorobenzamide is 362.11 g/mol.
Where can I buy N-(2-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)ethyl)-4-fluorobenzamide?
You can request a quote for N-(2-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)ethyl)-4-fluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)ethyl)-4-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)ethyl)-4-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.