N-(2-benzylsulfanylethyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide
TL;DR: N-(2-benzylsulfanylethyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide (CAS 428451-16-5) 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.
N-(2-benzylsulfanylethyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide
Also Known As: N-(2-benzylsulfanylethyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide, N-[2-(benzylsulfanyl)ethyl]-4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)benzamide, N-[2-(BENZYLSULFANYL)ETHYL]-4-[(1,2,3,4-TETRAHYDROISOQUINOLIN-2-YL)METHYL]BENZAMIDE
| Molecular Formula | C26H28N2OS |
|---|---|
| Molecular Weight | 416.19 g/mol |
| LogP | 4.9081 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 416.19223 |
| Heavy Atoms | 30 |
| Complexity | 956.28235 |
Chemical Identifiers
| CAS Number | 428451-16-5 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NCCSCC4=CC=CC=C4 |
Product Overview
N-(2-benzylsulfanylethyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide (CAS 428451-16-5), with molecular formula C26H28N2OS and molecular weight 416.19 g/mol. IUPAC: N-(2-benzylsulfanylethyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide.
Chemical Property Profile of N-(2-benzylsulfanylethyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide
Property Insights of N-(2-benzylsulfanylethyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide
The XLogP value of 4.9081 indicates that N-(2-benzylsulfanylethyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)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, N-(2-benzylsulfanylethyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-benzylsulfanylethyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide 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-benzylsulfanylethyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide?
The CAS number of N-(2-benzylsulfanylethyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide is 428451-16-5.
What is the molecular formula of N-(2-benzylsulfanylethyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide?
The molecular formula of N-(2-benzylsulfanylethyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide is C26H28N2OS.
What is the molecular weight of N-(2-benzylsulfanylethyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide?
The molecular weight of N-(2-benzylsulfanylethyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide is 416.19 g/mol.
Where can I buy N-(2-benzylsulfanylethyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide?
You can request a quote for N-(2-benzylsulfanylethyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-benzylsulfanylethyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-benzylsulfanylethyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.