2-(4-methylphenyl)sulfonyl-1-pyridin-4-yl-3,4-dihydro-1H-isoquinoline
TL;DR: 2-(4-methylphenyl)sulfonyl-1-pyridin-4-yl-3,4-dihydro-1H-isoquinoline (CAS 7062-95-5) is a chemical compound with molecular formula C21H20N2O2S and molecular weight 364.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)sulfonyl-1-pyridin-4-yl-3,4-dihydro-1H-isoquinoline
Also Known As: 2-cyanoacetic acid;potassium hydride, 2-(4-methylphenyl)sulfonyl-1-pyridin-4-yl-3,4-dihydro-1H-isoquinoline, ACETICACID, 2-CYANO-, POTASSIUM SALT (1:1), 2-(4-Methylbenzene-1-sulfonyl)-1-(pyridin-4-yl)-1,2,3,4-tetrahydroisoquinoline, RefChem:252702
| Molecular Formula | C21H20N2O2S |
|---|---|
| Molecular Weight | 364.12 g/mol |
| LogP | 3.72642 |
| Topological Polar Surface Area | 50.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 364.12454 |
| Heavy Atoms | 26 |
| Complexity | 1015.3914 |
Chemical Identifiers
| CAS Number | 7062-95-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2C4=CC=NC=C4 |
Product Overview
2-(4-methylphenyl)sulfonyl-1-pyridin-4-yl-3,4-dihydro-1H-isoquinoline (CAS 7062-95-5), with molecular formula C21H20N2O2S and molecular weight 364.12 g/mol. IUPAC: 2-(4-methylphenyl)sulfonyl-1-pyridin-4-yl-3,4-dihydro-1H-isoquinoline.
Chemical Property Profile of 2-(4-methylphenyl)sulfonyl-1-pyridin-4-yl-3,4-dihydro-1H-isoquinoline
Property Insights of 2-(4-methylphenyl)sulfonyl-1-pyridin-4-yl-3,4-dihydro-1H-isoquinoline
The XLogP value of 3.72642 indicates that 2-(4-methylphenyl)sulfonyl-1-pyridin-4-yl-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 50.27 Ų, 2-(4-methylphenyl)sulfonyl-1-pyridin-4-yl-3,4-dihydro-1H-isoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-methylphenyl)sulfonyl-1-pyridin-4-yl-3,4-dihydro-1H-isoquinoline 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-methylphenyl)sulfonyl-1-pyridin-4-yl-3,4-dihydro-1H-isoquinoline?
The CAS number of 2-(4-methylphenyl)sulfonyl-1-pyridin-4-yl-3,4-dihydro-1H-isoquinoline is 7062-95-5.
What is the molecular formula of 2-(4-methylphenyl)sulfonyl-1-pyridin-4-yl-3,4-dihydro-1H-isoquinoline?
The molecular formula of 2-(4-methylphenyl)sulfonyl-1-pyridin-4-yl-3,4-dihydro-1H-isoquinoline is C21H20N2O2S.
What is the molecular weight of 2-(4-methylphenyl)sulfonyl-1-pyridin-4-yl-3,4-dihydro-1H-isoquinoline?
The molecular weight of 2-(4-methylphenyl)sulfonyl-1-pyridin-4-yl-3,4-dihydro-1H-isoquinoline is 364.12 g/mol.
Where can I buy 2-(4-methylphenyl)sulfonyl-1-pyridin-4-yl-3,4-dihydro-1H-isoquinoline?
You can request a quote for 2-(4-methylphenyl)sulfonyl-1-pyridin-4-yl-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-methylphenyl)sulfonyl-1-pyridin-4-yl-3,4-dihydro-1H-isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-methylphenyl)sulfonyl-1-pyridin-4-yl-3,4-dihydro-1H-isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.