1-Methyl-4-phenylisoquinoline
TL;DR: 1-Methyl-4-phenylisoquinoline (CAS 1721-82-0) 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-methyl-4-phenylisoquinoline
Also Known As: 1-methyl-4-phenylisoquinoline, isoquinoline,1-methyl-4-phenyl-, A2138/0089791
| 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 | 656.6889 |
Chemical Identifiers
| CAS Number | 1721-82-0 |
|---|---|
| SMILES | CC1=NC=C(C2=CC=CC=C12)C3=CC=CC=C3 |
Product Overview
1-Methyl-4-phenylisoquinoline (CAS 1721-82-0), with molecular formula C16H13N and molecular weight 219.10 g/mol. IUPAC: 1-methyl-4-phenylisoquinoline.
Chemical Property Profile of 1-Methyl-4-phenylisoquinoline
Property Insights of 1-Methyl-4-phenylisoquinoline
The XLogP value of 4.21022 indicates that 1-Methyl-4-phenylisoquinoline 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-Methyl-4-phenylisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-4-phenylisoquinoline 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-Methyl-4-phenylisoquinoline?
The CAS number of 1-Methyl-4-phenylisoquinoline is 1721-82-0.
What is the molecular formula of 1-Methyl-4-phenylisoquinoline?
The molecular formula of 1-Methyl-4-phenylisoquinoline is C16H13N.
What is the molecular weight of 1-Methyl-4-phenylisoquinoline?
The molecular weight of 1-Methyl-4-phenylisoquinoline is 219.10 g/mol.
Where can I buy 1-Methyl-4-phenylisoquinoline?
You can request a quote for 1-Methyl-4-phenylisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-4-phenylisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-4-phenylisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.