2-(4-tert-butylphenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
TL;DR: 2-(4-tert-butylphenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline (CAS 671200-94-5) is a chemical compound with molecular formula C21H27NO4S and molecular weight 389.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-tert-butylphenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
Also Known As: J3.185.265J, VU0618231-1, F3394-0793, 2-(4-tert-butylbenzenesulfonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline, 2-(4-tert-butylphenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
| Molecular Formula | C21H27NO4S |
|---|---|
| Molecular Weight | 389.17 g/mol |
| LogP | 3.7483 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.16608 |
| Heavy Atoms | 27 |
| Complexity | 927.88934 |
Chemical Identifiers
| CAS Number | 671200-94-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC(=C(C=C3C2)OC)OC |
Product Overview
2-(4-tert-butylphenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline (CAS 671200-94-5), with molecular formula C21H27NO4S and molecular weight 389.17 g/mol. IUPAC: 2-(4-tert-butylphenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline.
Chemical Property Profile of 2-(4-tert-butylphenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
Property Insights of 2-(4-tert-butylphenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
The XLogP value of 3.7483 indicates that 2-(4-tert-butylphenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, 2-(4-tert-butylphenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-tert-butylphenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline 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-(4-tert-butylphenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline?
The CAS number of 2-(4-tert-butylphenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline is 671200-94-5.
What is the molecular formula of 2-(4-tert-butylphenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline?
The molecular formula of 2-(4-tert-butylphenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline is C21H27NO4S.
What is the molecular weight of 2-(4-tert-butylphenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline?
The molecular weight of 2-(4-tert-butylphenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline is 389.17 g/mol.
Where can I buy 2-(4-tert-butylphenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline?
You can request a quote for 2-(4-tert-butylphenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline 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-butylphenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-tert-butylphenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.