4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2-phenylsulfanylethyl)benzamide
TL;DR: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2-phenylsulfanylethyl)benzamide (CAS 409355-10-8) is a chemical compound with molecular formula C25H26N2OS and molecular weight 402.18 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-phenylsulfanylethyl)benzamide
Also Known As: BAS 02905387, 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2-phenylsulfanylethyl)benzamide, 4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-N-(2-phenylsulfanyl-ethyl)-benzamide, 4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-N-[2-(phenylsulfanyl)ethyl]benzamide, N-[2-(PHENYLSULFANYL)ETHYL]-4-[(1,2,3,4-TETRAHYDROISOQUINOLIN-2-YL)METHYL]BENZAMIDE
| Molecular Formula | C25H26N2OS |
|---|---|
| Molecular Weight | 402.18 g/mol |
| LogP | 4.767 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 402.17657 |
| Heavy Atoms | 29 |
| Complexity | 940.5519 |
Chemical Identifiers
| CAS Number | 409355-10-8 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NCCSC4=CC=CC=C4 |
Product Overview
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2-phenylsulfanylethyl)benzamide (CAS 409355-10-8), with molecular formula C25H26N2OS and molecular weight 402.18 g/mol. IUPAC: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2-phenylsulfanylethyl)benzamide.
Chemical Property Profile of 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2-phenylsulfanylethyl)benzamide
Property Insights of 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2-phenylsulfanylethyl)benzamide
The XLogP value of 4.767 indicates that 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2-phenylsulfanylethyl)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-phenylsulfanylethyl)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-phenylsulfanylethyl)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 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2-phenylsulfanylethyl)benzamide?
The CAS number of 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2-phenylsulfanylethyl)benzamide is 409355-10-8.
What is the molecular formula of 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2-phenylsulfanylethyl)benzamide?
The molecular formula of 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2-phenylsulfanylethyl)benzamide is C25H26N2OS.
What is the molecular weight of 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2-phenylsulfanylethyl)benzamide?
The molecular weight of 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2-phenylsulfanylethyl)benzamide is 402.18 g/mol.
Where can I buy 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2-phenylsulfanylethyl)benzamide?
You can request a quote for 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2-phenylsulfanylethyl)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-phenylsulfanylethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2-phenylsulfanylethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.