![2-(4-fluorobenzenesulfonyl)-N-[2-(4-fluorophenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide structure](/static/products/1008/1008595-28-5.webp)
2-(4-fluorobenzenesulfonyl)-N-[2-(4-fluorophenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
TL;DR: 2-(4-fluorobenzenesulfonyl)-N-[2-(4-fluorophenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CAS 1008595-28-5) is a chemical compound with molecular formula C24H22F2N2O3S and molecular weight 456.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(4-fluorophenyl)ethyl]-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
Also Known As: 2-(4-fluorobenzenesulfonyl)-N-[2-(4-fluorophenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide, N-[2-(4-fluorophenyl)ethyl]-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide, N-[2-(4-fluorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide, N-[2-(4-fluorophenyl)ethyl]{2-[(4-fluorophenyl)sulfonyl](3-1,2,3,4-tetrahydroi soquinolyl)}carboxamide
| Molecular Formula | C24H22F2N2O3S |
|---|---|
| Molecular Weight | 456.13 g/mol |
| LogP | 3.4393 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.13193 |
| Heavy Atoms | 32 |
| Complexity | 1212.7516 |
Chemical Identifiers
| CAS Number | 1008595-28-5 |
|---|---|
| SMILES | C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)NCCC4=CC=C(C=C4)F |
Product Overview
2-(4-fluorobenzenesulfonyl)-N-[2-(4-fluorophenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CAS 1008595-28-5), with molecular formula C24H22F2N2O3S and molecular weight 456.13 g/mol. IUPAC: N-[2-(4-fluorophenyl)ethyl]-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide.
Chemical Property Profile of 2-(4-fluorobenzenesulfonyl)-N-[2-(4-fluorophenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Property Insights of 2-(4-fluorobenzenesulfonyl)-N-[2-(4-fluorophenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
The XLogP value of 3.4393 indicates that 2-(4-fluorobenzenesulfonyl)-N-[2-(4-fluorophenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-fluorobenzenesulfonyl)-N-[2-(4-fluorophenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide. Following Lipinski's Rule of Five, 2-(4-fluorobenzenesulfonyl)-N-[2-(4-fluorophenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide 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 2-(4-fluorobenzenesulfonyl)-N-[2-(4-fluorophenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The CAS number of 2-(4-fluorobenzenesulfonyl)-N-[2-(4-fluorophenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is 1008595-28-5.
What is the molecular formula of 2-(4-fluorobenzenesulfonyl)-N-[2-(4-fluorophenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The molecular formula of 2-(4-fluorobenzenesulfonyl)-N-[2-(4-fluorophenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is C24H22F2N2O3S.
What is the molecular weight of 2-(4-fluorobenzenesulfonyl)-N-[2-(4-fluorophenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The molecular weight of 2-(4-fluorobenzenesulfonyl)-N-[2-(4-fluorophenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is 456.13 g/mol.
Where can I buy 2-(4-fluorobenzenesulfonyl)-N-[2-(4-fluorophenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
You can request a quote for 2-(4-fluorobenzenesulfonyl)-N-[2-(4-fluorophenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-fluorobenzenesulfonyl)-N-[2-(4-fluorophenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-fluorobenzenesulfonyl)-N-[2-(4-fluorophenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.