2-tosyl-2,3-dihydroisoquinolin-4(1H)-one
TL;DR: 2-tosyl-2,3-dihydroisoquinolin-4(1H)-one (CAS 125159-93-5) is a chemical compound with molecular formula C16H15NO3S and molecular weight 301.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)sulfonyl-1,3-dihydroisoquinolin-4-one
Also Known As: 2-tosyl-2,3-dihydroisoquinolin-4(1H)-one, 2-(4-methylphenyl)sulfonyl-1,3-dihydroisoquinolin-4-one, 3-Methoxy-phenethylmagensiumbromid, 2-(4-methylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-4-one, 2-tosyl-2,3-dihydro-4(1H)-isoquinolinone
| Molecular Formula | C16H15NO3S |
|---|---|
| Molecular Weight | 301.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.07727 |
| Heavy Atoms | 21 |
| Complexity | 488.0 |
Chemical Identifiers
| CAS Number | 125159-93-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3C(=O)C2 |
| InChIKey | PBYCNZJUBOWCEO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-tosyl-2,3-dihydroisoquinolin-4(1H)-one (CAS 125159-93-5), with molecular formula C16H15NO3S and molecular weight 301.08 g/mol. IUPAC: 2-(4-methylphenyl)sulfonyl-1,3-dihydroisoquinolin-4-one.
Chemical Property Profile of 2-tosyl-2,3-dihydroisoquinolin-4(1H)-one
Property Insights of 2-tosyl-2,3-dihydroisoquinolin-4(1H)-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-tosyl-2,3-dihydroisoquinolin-4(1H)-one. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-tosyl-2,3-dihydroisoquinolin-4(1H)-one. Following Lipinski's Rule of Five, 2-tosyl-2,3-dihydroisoquinolin-4(1H)-one has 0 hydrogen bond donor(s) and 4 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-tosyl-2,3-dihydroisoquinolin-4(1H)-one?
The CAS number of 2-tosyl-2,3-dihydroisoquinolin-4(1H)-one is 125159-93-5.
What is the molecular formula of 2-tosyl-2,3-dihydroisoquinolin-4(1H)-one?
The molecular formula of 2-tosyl-2,3-dihydroisoquinolin-4(1H)-one is C16H15NO3S.
What is the molecular weight of 2-tosyl-2,3-dihydroisoquinolin-4(1H)-one?
The molecular weight of 2-tosyl-2,3-dihydroisoquinolin-4(1H)-one is 301.08 g/mol.
Where can I buy 2-tosyl-2,3-dihydroisoquinolin-4(1H)-one?
You can request a quote for 2-tosyl-2,3-dihydroisoquinolin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-tosyl-2,3-dihydroisoquinolin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-tosyl-2,3-dihydroisoquinolin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.