2-(Benzylsulfonyl)-1,2,3,4-tetrahydroisoquinoline
TL;DR: 2-(Benzylsulfonyl)-1,2,3,4-tetrahydroisoquinoline (CAS 330469-65-3) is a chemical compound with molecular formula C16H17NO2S and molecular weight 287.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfonyl-3,4-dihydro-1H-isoquinoline
Also Known As: 2-(benzylsulfonyl)-1,2,3,4-tetrahydroisoquinoline, 2-benzylsulfonyl-3,4-dihydro-1H-isoquinoline, 2-[benzylsulfonyl]-1,2,3,4-tetrahydroisoquinoline, 2-phenylmethanesulfonyl-1,2,3,4-tetrahydroisoquinoline, 2-PHENYLMETHANESULFONYL-3,4-DIHYDRO-1H-ISOQUINOLINE
| Molecular Formula | C16H17NO2S |
|---|---|
| Molecular Weight | 287.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.098 |
| Heavy Atoms | 20 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 330469-65-3 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)S(=O)(=O)CC3=CC=CC=C3 |
| InChIKey | SHISYJAKZOFDCH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Benzylsulfonyl)-1,2,3,4-tetrahydroisoquinoline (CAS 330469-65-3), with molecular formula C16H17NO2S and molecular weight 287.10 g/mol. IUPAC: 2-benzylsulfonyl-3,4-dihydro-1H-isoquinoline.
Chemical Property Profile of 2-(Benzylsulfonyl)-1,2,3,4-tetrahydroisoquinoline
Property Insights of 2-(Benzylsulfonyl)-1,2,3,4-tetrahydroisoquinoline
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Benzylsulfonyl)-1,2,3,4-tetrahydroisoquinoline. With a topological polar surface area (TPSA) of 45.8 Ų, 2-(Benzylsulfonyl)-1,2,3,4-tetrahydroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Benzylsulfonyl)-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-(Benzylsulfonyl)-1,2,3,4-tetrahydroisoquinoline?
The CAS number of 2-(Benzylsulfonyl)-1,2,3,4-tetrahydroisoquinoline is 330469-65-3.
What is the molecular formula of 2-(Benzylsulfonyl)-1,2,3,4-tetrahydroisoquinoline?
The molecular formula of 2-(Benzylsulfonyl)-1,2,3,4-tetrahydroisoquinoline is C16H17NO2S.
What is the molecular weight of 2-(Benzylsulfonyl)-1,2,3,4-tetrahydroisoquinoline?
The molecular weight of 2-(Benzylsulfonyl)-1,2,3,4-tetrahydroisoquinoline is 287.10 g/mol.
Where can I buy 2-(Benzylsulfonyl)-1,2,3,4-tetrahydroisoquinoline?
You can request a quote for 2-(Benzylsulfonyl)-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-(Benzylsulfonyl)-1,2,3,4-tetrahydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylsulfonyl)-1,2,3,4-tetrahydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.