![N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(4-ethylphenyl)benzenesulfonamide structure](/static/products/6906/690689-44-2.webp)
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(4-ethylphenyl)benzenesulfonamide
TL;DR: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(4-ethylphenyl)benzenesulfonamide (CAS 690689-44-2) is a chemical compound with molecular formula C25H26N2O3S and molecular weight 434.17 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-yl)-2-oxoethyl]-N-(4-ethylphenyl)benzenesulfonamide
Also Known As: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(4-ethylphenyl)benzenesulfonamide, N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-N-(4-ethylphenyl)benzenesulfonamide
| Molecular Formula | C25H26N2O3S |
|---|---|
| Molecular Weight | 434.17 g/mol |
| LogP | 4.0292 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 434.1664 |
| Heavy Atoms | 31 |
| Complexity | 1158.8862 |
Chemical Identifiers
| CAS Number | 690689-44-2 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)N(CC(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)C4=CC=CC=C4 |
Product Overview
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(4-ethylphenyl)benzenesulfonamide (CAS 690689-44-2), with molecular formula C25H26N2O3S and molecular weight 434.17 g/mol. IUPAC: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(4-ethylphenyl)benzenesulfonamide.
Chemical Property Profile of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(4-ethylphenyl)benzenesulfonamide
Property Insights of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(4-ethylphenyl)benzenesulfonamide
The XLogP value of 4.0292 indicates that N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(4-ethylphenyl)benzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.69 Ų, N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(4-ethylphenyl)benzenesulfonamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(4-ethylphenyl)benzenesulfonamide has 0 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-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(4-ethylphenyl)benzenesulfonamide?
The CAS number of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(4-ethylphenyl)benzenesulfonamide is 690689-44-2.
What is the molecular formula of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(4-ethylphenyl)benzenesulfonamide?
The molecular formula of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(4-ethylphenyl)benzenesulfonamide is C25H26N2O3S.
What is the molecular weight of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(4-ethylphenyl)benzenesulfonamide?
The molecular weight of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(4-ethylphenyl)benzenesulfonamide is 434.17 g/mol.
Where can I buy N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(4-ethylphenyl)benzenesulfonamide?
You can request a quote for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(4-ethylphenyl)benzenesulfonamide 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-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(4-ethylphenyl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(4-ethylphenyl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.