![2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone structure](/static/products/831/831213-27-5.png)
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
TL;DR: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone (CAS 831213-27-5) is a chemical compound with molecular formula C18H17ClFNOS and molecular weight 349.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
Also Known As: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone, 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethanone
| Molecular Formula | C18H17ClFNOS |
|---|---|
| Molecular Weight | 349.07 g/mol |
| LogP | 4.2972 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.07034 |
| Heavy Atoms | 23 |
| Complexity | 701.6678 |
Chemical Identifiers
| CAS Number | 831213-27-5 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C(=O)CSCC3=C(C=CC=C3Cl)F |
Product Overview
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone (CAS 831213-27-5), with molecular formula C18H17ClFNOS and molecular weight 349.07 g/mol. IUPAC: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone.
Chemical Property Profile of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
Property Insights of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
The XLogP value of 4.2972 indicates that 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone has 0 hydrogen bond donor(s) and 2 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 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
The CAS number of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone is 831213-27-5.
What is the molecular formula of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
The molecular formula of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone is C18H17ClFNOS.
What is the molecular weight of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
The molecular weight of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone is 349.07 g/mol.
Where can I buy 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
You can request a quote for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.