![2-[(4-tert-butylphenyl)sulfonyl]-1-(1H-indol-3-yl)-1,2-dihydroisoquinoline structure](/static/products/312/312617-49-5.webp)
2-[(4-tert-butylphenyl)sulfonyl]-1-(1H-indol-3-yl)-1,2-dihydroisoquinoline
TL;DR: 2-[(4-tert-butylphenyl)sulfonyl]-1-(1H-indol-3-yl)-1,2-dihydroisoquinoline (CAS 312617-49-5) is a chemical compound with molecular formula C27H26N2O2S and molecular weight 442.1715 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-tert-butylphenyl)sulfonyl-1-(1H-indol-3-yl)-1H-isoquinoline
Also Known As: 2-(4-tert-butylphenyl)sulfonyl-1-(1H-indol-3-yl)-1H-isoquinoline, 2-((4-(tert-butyl)phenyl)sulfonyl)-1-(1H-indol-3-yl)-1,2-dihydroisoquinoline, 2-[(4-tert-butylphenyl)sulfonyl]-1-(1H-indol-3-yl)-1,2-dihydroisoquinoline
Technical Specifications
| Molecular Formula | C27H26N2O2S |
| Molecular Weight | 442.1715 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 442.1715 Da |
| Heavy Atoms | 32 |
| Complexity | 787.0 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2C=CC3=CC=CC=C3C2C4=CNC5=CC=CC=C54 |
| InChIKey | GJPKZVNHYZRYEO-UHFFFAOYSA-N |
Chemical Property Profile of 2-[(4-tert-butylphenyl)sulfonyl]-1-(1H-indol-3-yl)-1,2-dihydroisoquinoline
Property Insights of 2-[(4-tert-butylphenyl)sulfonyl]-1-(1H-indol-3-yl)-1,2-dihydroisoquinoline
The XLogP value of 6.2 indicates that 2-[(4-tert-butylphenyl)sulfonyl]-1-(1H-indol-3-yl)-1,2-dihydroisoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-tert-butylphenyl)sulfonyl]-1-(1H-indol-3-yl)-1,2-dihydroisoquinoline. Following Lipinski's Rule of Five, 2-[(4-tert-butylphenyl)sulfonyl]-1-(1H-indol-3-yl)-1,2-dihydroisoquinoline has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-[(4-tert-butylphenyl)sulfonyl]-1-(1H-indol-3-yl)-1,2-dihydroisoquinoline?
The CAS number of 2-[(4-tert-butylphenyl)sulfonyl]-1-(1H-indol-3-yl)-1,2-dihydroisoquinoline is 312617-49-5.
What is the molecular formula of 2-[(4-tert-butylphenyl)sulfonyl]-1-(1H-indol-3-yl)-1,2-dihydroisoquinoline?
The molecular formula of 2-[(4-tert-butylphenyl)sulfonyl]-1-(1H-indol-3-yl)-1,2-dihydroisoquinoline is C27H26N2O2S.
What is the molecular weight of 2-[(4-tert-butylphenyl)sulfonyl]-1-(1H-indol-3-yl)-1,2-dihydroisoquinoline?
The molecular weight of 2-[(4-tert-butylphenyl)sulfonyl]-1-(1H-indol-3-yl)-1,2-dihydroisoquinoline is 442.1715 g/mol.
Where can I buy 2-[(4-tert-butylphenyl)sulfonyl]-1-(1H-indol-3-yl)-1,2-dihydroisoquinoline?
You can request a quote for 2-[(4-tert-butylphenyl)sulfonyl]-1-(1H-indol-3-yl)-1,2-dihydroisoquinoline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[(4-tert-butylphenyl)sulfonyl]-1-(1H-indol-3-yl)-1,2-dihydroisoquinoline?
Yes, CoreyChem provides custom synthesis services for 2-[(4-tert-butylphenyl)sulfonyl]-1-(1H-indol-3-yl)-1,2-dihydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.