1-(p-Tolyl)isoquinoline
TL;DR: 1-(p-Tolyl)isoquinoline (CAS 101273-46-5) is a chemical compound with molecular formula C16H13N and molecular weight 219.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)isoquinoline
Also Known As: 1-(p-Tolyl)isoquinoline, 1-(4-methylphenyl)isoquinoline, 1-p-Tolylisoquinoline, 1-(p-tolyl)-isoquinoline, Isoquinoline, 1-(4-methylphenyl)-
| Molecular Formula | C16H13N |
|---|---|
| Molecular Weight | 219.10 g/mol |
| LogP | 4.21022 |
| Topological Polar Surface Area | 12.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.1048 |
| Heavy Atoms | 17 |
| Complexity | 648.4389 |
Chemical Identifiers
| CAS Number | 101273-46-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC=CC3=CC=CC=C32 |
Product Overview
1-(p-Tolyl)isoquinoline (CAS 101273-46-5), with molecular formula C16H13N and molecular weight 219.10 g/mol. IUPAC: 1-(4-methylphenyl)isoquinoline.
Chemical Property Profile of 1-(p-Tolyl)isoquinoline
Property Insights of 1-(p-Tolyl)isoquinoline
The XLogP value of 4.21022 indicates that 1-(p-Tolyl)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-(p-Tolyl)isoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(p-Tolyl)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-(p-Tolyl)isoquinoline?
The CAS number of 1-(p-Tolyl)isoquinoline is 101273-46-5.
What is the molecular formula of 1-(p-Tolyl)isoquinoline?
The molecular formula of 1-(p-Tolyl)isoquinoline is C16H13N.
What is the molecular weight of 1-(p-Tolyl)isoquinoline?
The molecular weight of 1-(p-Tolyl)isoquinoline is 219.10 g/mol.
Where can I buy 1-(p-Tolyl)isoquinoline?
You can request a quote for 1-(p-Tolyl)isoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(p-Tolyl)isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 1-(p-Tolyl)isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.