(4-ethylsulfanylphenyl)-(3-methyl-2,4-dihydro-1H-isoquinolin-3-yl)methanone
TL;DR: (4-ethylsulfanylphenyl)-(3-methyl-2,4-dihydro-1H-isoquinolin-3-yl)methanone (CAS 84212-36-2) is a chemical compound with molecular formula C19H21NOS and molecular weight 311.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-ethylsulfanylphenyl)-(3-methyl-2,4-dihydro-1H-isoquinolin-3-yl)methanone
Also Known As: (4-ethylsulfanylphenyl)-(3-methyl-2,4-dihydro-1H-isoquinolin-3-yl)methanone, [4-(Ethylsulfanyl)phenyl](3-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
| Molecular Formula | C19H21NOS |
|---|---|
| Molecular Weight | 311.13 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.1344 |
| Heavy Atoms | 22 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 84212-36-2 |
|---|---|
| SMILES | CCSC1=CC=C(C=C1)C(=O)C2(CC3=CC=CC=C3CN2)C |
| InChIKey | LGPRKQWPXZPGFU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4-ethylsulfanylphenyl)-(3-methyl-2,4-dihydro-1H-isoquinolin-3-yl)methanone (CAS 84212-36-2), with molecular formula C19H21NOS and molecular weight 311.13 g/mol. IUPAC: (4-ethylsulfanylphenyl)-(3-methyl-2,4-dihydro-1H-isoquinolin-3-yl)methanone.
Chemical Property Profile of (4-ethylsulfanylphenyl)-(3-methyl-2,4-dihydro-1H-isoquinolin-3-yl)methanone
Property Insights of (4-ethylsulfanylphenyl)-(3-methyl-2,4-dihydro-1H-isoquinolin-3-yl)methanone
The XLogP value of 3.8 indicates that (4-ethylsulfanylphenyl)-(3-methyl-2,4-dihydro-1H-isoquinolin-3-yl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, (4-ethylsulfanylphenyl)-(3-methyl-2,4-dihydro-1H-isoquinolin-3-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-ethylsulfanylphenyl)-(3-methyl-2,4-dihydro-1H-isoquinolin-3-yl)methanone 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-ethylsulfanylphenyl)-(3-methyl-2,4-dihydro-1H-isoquinolin-3-yl)methanone?
The CAS number of (4-ethylsulfanylphenyl)-(3-methyl-2,4-dihydro-1H-isoquinolin-3-yl)methanone is 84212-36-2.
What is the molecular formula of (4-ethylsulfanylphenyl)-(3-methyl-2,4-dihydro-1H-isoquinolin-3-yl)methanone?
The molecular formula of (4-ethylsulfanylphenyl)-(3-methyl-2,4-dihydro-1H-isoquinolin-3-yl)methanone is C19H21NOS.
What is the molecular weight of (4-ethylsulfanylphenyl)-(3-methyl-2,4-dihydro-1H-isoquinolin-3-yl)methanone?
The molecular weight of (4-ethylsulfanylphenyl)-(3-methyl-2,4-dihydro-1H-isoquinolin-3-yl)methanone is 311.13 g/mol.
Where can I buy (4-ethylsulfanylphenyl)-(3-methyl-2,4-dihydro-1H-isoquinolin-3-yl)methanone?
You can request a quote for (4-ethylsulfanylphenyl)-(3-methyl-2,4-dihydro-1H-isoquinolin-3-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-ethylsulfanylphenyl)-(3-methyl-2,4-dihydro-1H-isoquinolin-3-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (4-ethylsulfanylphenyl)-(3-methyl-2,4-dihydro-1H-isoquinolin-3-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.