6-tert-Butyl-2,3-dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline
TL;DR: 6-tert-Butyl-2,3-dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline (CAS 41958-50-3) is a chemical compound with molecular formula C21H27N and molecular weight 293.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-6-tert-butyl-2,3-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline
Also Known As: 5-20-08-00188 (Beilstein Handbook Reference), Isoquinoline, 6-tert-butyl-2,3-dimethyl-4-phenyl-1,2,3,4-tetrahydro-, (E)-, trans-6-tert-Butyl-2,3-dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline, 6-tert-Butyl-2,3-dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline, ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-6-tert-BUTYL-2,3-DIMETHYL-4-PHENYL-, (E)-
| Molecular Formula | C21H27N |
|---|---|
| Molecular Weight | 293.21 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 293.21436 |
| Heavy Atoms | 22 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 41958-50-3 |
|---|---|
| SMILES | C[C@H]1C(C2=C(CN1C)C=CC(=C2)C(C)(C)C)C3=CC=CC=C3 |
| InChIKey | JDTBFWLXSQSTFR-OOJLDXBWSA-N |
Product Overview
6-tert-Butyl-2,3-dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline (CAS 41958-50-3), with molecular formula C21H27N and molecular weight 293.21 g/mol. IUPAC: (3S)-6-tert-butyl-2,3-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline.
Chemical Property Profile of 6-tert-Butyl-2,3-dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline
Property Insights of 6-tert-Butyl-2,3-dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline
The XLogP value of 5.4 indicates that 6-tert-Butyl-2,3-dimethyl-4-phenyl-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 3.2 Ų, 6-tert-Butyl-2,3-dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-tert-Butyl-2,3-dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-tert-Butyl-2,3-dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline?
The CAS number of 6-tert-Butyl-2,3-dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline is 41958-50-3.
What is the molecular formula of 6-tert-Butyl-2,3-dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline?
The molecular formula of 6-tert-Butyl-2,3-dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline is C21H27N.
What is the molecular weight of 6-tert-Butyl-2,3-dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline?
The molecular weight of 6-tert-Butyl-2,3-dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline is 293.21 g/mol.
Where can I buy 6-tert-Butyl-2,3-dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline?
You can request a quote for 6-tert-Butyl-2,3-dimethyl-4-phenyl-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 6-tert-Butyl-2,3-dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 6-tert-Butyl-2,3-dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.