![4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[2-(4-methylphenyl)sulfanylethyl]benzamide structure](/static/products/4284/428466-20-0.webp)
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
TL;DR: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[2-(4-methylphenyl)sulfanylethyl]benzamide (CAS 428466-20-0) is a chemical compound with molecular formula C26H28N2OS and molecular weight 416.19 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-ylmethyl)-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
Also Known As: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[2-(4-methylphenyl)sulfanylethyl]benzamide, 4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-N-{2-[(4-methylphenyl)sulfanyl]ethyl}benzamide, N-[2-(4-methylphenylthio)ethyl][4-(2-1,2,3,4-tetrahydroisoquinolylmethyl)pheny l]carboxamide, N-{2-[(4-METHYLPHENYL)SULFANYL]ETHYL}-4-[(1,2,3,4-TETRAHYDROISOQUINOLIN-2-YL)METHYL]BENZAMIDE
| Molecular Formula | C26H28N2OS |
|---|---|
| Molecular Weight | 416.19 g/mol |
| LogP | 5.07542 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.19223 |
| Heavy Atoms | 30 |
| Complexity | 982.67523 |
Chemical Identifiers
| CAS Number | 428466-20-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCCNC(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C4C3 |
Product Overview
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[2-(4-methylphenyl)sulfanylethyl]benzamide (CAS 428466-20-0), with molecular formula C26H28N2OS and molecular weight 416.19 g/mol. IUPAC: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[2-(4-methylphenyl)sulfanylethyl]benzamide.
Chemical Property Profile of 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
Property Insights of 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
The XLogP value of 5.07542 indicates that 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[2-(4-methylphenyl)sulfanylethyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.34 Ų, 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[2-(4-methylphenyl)sulfanylethyl]benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[2-(4-methylphenyl)sulfanylethyl]benzamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[2-(4-methylphenyl)sulfanylethyl]benzamide?
The CAS number of 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[2-(4-methylphenyl)sulfanylethyl]benzamide is 428466-20-0.
What is the molecular formula of 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[2-(4-methylphenyl)sulfanylethyl]benzamide?
The molecular formula of 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[2-(4-methylphenyl)sulfanylethyl]benzamide is C26H28N2OS.
What is the molecular weight of 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[2-(4-methylphenyl)sulfanylethyl]benzamide?
The molecular weight of 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[2-(4-methylphenyl)sulfanylethyl]benzamide is 416.19 g/mol.
Where can I buy 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[2-(4-methylphenyl)sulfanylethyl]benzamide?
You can request a quote for 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[2-(4-methylphenyl)sulfanylethyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[2-(4-methylphenyl)sulfanylethyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[2-(4-methylphenyl)sulfanylethyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.