![1-[(3-Methylphenyl)methyl]isoquinoline structure](/static/products/982/98237-16-2.png)
1-[(3-Methylphenyl)methyl]isoquinoline
TL;DR: 1-[(3-Methylphenyl)methyl]isoquinoline (CAS 98237-16-2) is a chemical compound with molecular formula C17H15N and molecular weight 233.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3-methylphenyl)methyl]isoquinoline
Also Known As: 1-(3-methylbenzyl)isoquinoline, 1-[(3-methylphenyl)methyl]isoquinoline, Isoquinoline, 1-[(3-methylphenyl)methyl]-, J3.448.650F
| Molecular Formula | C17H15N |
|---|---|
| Molecular Weight | 233.12 g/mol |
| LogP | 4.13402 |
| Topological Polar Surface Area | 12.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.12045 |
| Heavy Atoms | 18 |
| Complexity | 680.5147 |
Chemical Identifiers
| CAS Number | 98237-16-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CC2=NC=CC3=CC=CC=C32 |
Product Overview
1-[(3-Methylphenyl)methyl]isoquinoline (CAS 98237-16-2), with molecular formula C17H15N and molecular weight 233.12 g/mol. IUPAC: 1-[(3-methylphenyl)methyl]isoquinoline.
Chemical Property Profile of 1-[(3-Methylphenyl)methyl]isoquinoline
Property Insights of 1-[(3-Methylphenyl)methyl]isoquinoline
The XLogP value of 4.13402 indicates that 1-[(3-Methylphenyl)methyl]isoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.89 Ų, 1-[(3-Methylphenyl)methyl]isoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(3-Methylphenyl)methyl]isoquinoline has 0 hydrogen bond donor(s) and 1 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 1-[(3-Methylphenyl)methyl]isoquinoline?
The CAS number of 1-[(3-Methylphenyl)methyl]isoquinoline is 98237-16-2.
What is the molecular formula of 1-[(3-Methylphenyl)methyl]isoquinoline?
The molecular formula of 1-[(3-Methylphenyl)methyl]isoquinoline is C17H15N.
What is the molecular weight of 1-[(3-Methylphenyl)methyl]isoquinoline?
The molecular weight of 1-[(3-Methylphenyl)methyl]isoquinoline is 233.12 g/mol.
Where can I buy 1-[(3-Methylphenyl)methyl]isoquinoline?
You can request a quote for 1-[(3-Methylphenyl)methyl]isoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(3-Methylphenyl)methyl]isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 1-[(3-Methylphenyl)methyl]isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.