2-(4-Tert-butylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline
TL;DR: 2-(4-Tert-butylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline (CAS 309285-52-7) is a chemical compound with molecular formula C19H23NO2S and molecular weight 329.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-tert-butylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
Also Known As: 2-(4-tert-butylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline, 2-((4-(tert-butyl)phenyl)sulfonyl)-1,2,3,4-tetrahydroisoquinoline, 2-(4-tert-butylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline, F1406-0104, A2129/0089374
| Molecular Formula | C19H23NO2S |
|---|---|
| Molecular Weight | 329.14 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.14496 |
| Heavy Atoms | 23 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 309285-52-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2 |
| InChIKey | FRXPCACAINLEQD-UHFFFAOYSA-N |
Product Overview
2-(4-Tert-butylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline (CAS 309285-52-7), with molecular formula C19H23NO2S and molecular weight 329.14 g/mol. IUPAC: 2-(4-tert-butylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline.
Chemical Property Profile of 2-(4-Tert-butylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline
Property Insights of 2-(4-Tert-butylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline
The XLogP value of 4.3 indicates that 2-(4-Tert-butylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 2-(4-Tert-butylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Tert-butylbenzenesulfonyl)-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-(4-Tert-butylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline?
The CAS number of 2-(4-Tert-butylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline is 309285-52-7.
What is the molecular formula of 2-(4-Tert-butylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline?
The molecular formula of 2-(4-Tert-butylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline is C19H23NO2S.
What is the molecular weight of 2-(4-Tert-butylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline?
The molecular weight of 2-(4-Tert-butylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline is 329.14 g/mol.
Where can I buy 2-(4-Tert-butylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline?
You can request a quote for 2-(4-Tert-butylbenzenesulfonyl)-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-(4-Tert-butylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Tert-butylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.