2-(Phenylsulfonyl)-1,2,3,4-tetrahydroisoquinoline
TL;DR: 2-(Phenylsulfonyl)-1,2,3,4-tetrahydroisoquinoline (CAS 79409-51-1) is a chemical compound with molecular formula C15H15NO2S and molecular weight 273.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinoline
Also Known As: 2-(phenylsulfonyl)-1,2,3,4-tetrahydroisoquinoline, 2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinoline, BAS 00624855, 2-Benzenesulfonyl-1,2,3,4-tetrahydro-isoquinoline, J2.075.817A
| Molecular Formula | C15H15NO2S |
|---|---|
| Molecular Weight | 273.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 273.08234 |
| Heavy Atoms | 19 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 79409-51-1 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3 |
| InChIKey | RZJFJIXZVSQRGU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Phenylsulfonyl)-1,2,3,4-tetrahydroisoquinoline (CAS 79409-51-1), with molecular formula C15H15NO2S and molecular weight 273.08 g/mol. IUPAC: 2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinoline.
Chemical Property Profile of 2-(Phenylsulfonyl)-1,2,3,4-tetrahydroisoquinoline
Property Insights of 2-(Phenylsulfonyl)-1,2,3,4-tetrahydroisoquinoline
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Phenylsulfonyl)-1,2,3,4-tetrahydroisoquinoline. With a topological polar surface area (TPSA) of 45.8 Ų, 2-(Phenylsulfonyl)-1,2,3,4-tetrahydroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Phenylsulfonyl)-1,2,3,4-tetrahydroisoquinoline has 0 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 2-(Phenylsulfonyl)-1,2,3,4-tetrahydroisoquinoline?
The CAS number of 2-(Phenylsulfonyl)-1,2,3,4-tetrahydroisoquinoline is 79409-51-1.
What is the molecular formula of 2-(Phenylsulfonyl)-1,2,3,4-tetrahydroisoquinoline?
The molecular formula of 2-(Phenylsulfonyl)-1,2,3,4-tetrahydroisoquinoline is C15H15NO2S.
What is the molecular weight of 2-(Phenylsulfonyl)-1,2,3,4-tetrahydroisoquinoline?
The molecular weight of 2-(Phenylsulfonyl)-1,2,3,4-tetrahydroisoquinoline is 273.08 g/mol.
Where can I buy 2-(Phenylsulfonyl)-1,2,3,4-tetrahydroisoquinoline?
You can request a quote for 2-(Phenylsulfonyl)-1,2,3,4-tetrahydroisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Phenylsulfonyl)-1,2,3,4-tetrahydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-(Phenylsulfonyl)-1,2,3,4-tetrahydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.