3-Methylisoquinoline N-oxide
TL;DR: 3-Methylisoquinoline N-oxide (CAS 14548-00-6) is a chemical compound with molecular formula C10H9NO and molecular weight 159.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-oxidoisoquinolin-2-ium
Also Known As: 3-Methylisoquinoline 2-oxide, 3-Methylisoquinoline N-oxide, Isoquinoline, 2-oxide, 3-methyl-2-oxidoisoquinolin-2-ium, 3-Methyisoquinoline oxide
| Molecular Formula | C10H9NO |
|---|---|
| Molecular Weight | 159.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 25.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 159.06842 |
| Heavy Atoms | 12 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 14548-00-6 |
|---|---|
| SMILES | CC1=CC2=CC=CC=C2C=[N+]1[O-] |
| InChIKey | BTEXQKZNRLDUMG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methylisoquinoline N-oxide (CAS 14548-00-6), with molecular formula C10H9NO and molecular weight 159.07 g/mol. IUPAC: 3-methyl-2-oxidoisoquinolin-2-ium.
Chemical Property Profile of 3-Methylisoquinoline N-oxide
Property Insights of 3-Methylisoquinoline N-oxide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylisoquinoline N-oxide. With a topological polar surface area (TPSA) of 25.5 Ų, 3-Methylisoquinoline N-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylisoquinoline N-oxide 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 3-Methylisoquinoline N-oxide?
The CAS number of 3-Methylisoquinoline N-oxide is 14548-00-6.
What is the molecular formula of 3-Methylisoquinoline N-oxide?
The molecular formula of 3-Methylisoquinoline N-oxide is C10H9NO.
What is the molecular weight of 3-Methylisoquinoline N-oxide?
The molecular weight of 3-Methylisoquinoline N-oxide is 159.07 g/mol.
Where can I buy 3-Methylisoquinoline N-oxide?
You can request a quote for 3-Methylisoquinoline N-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylisoquinoline N-oxide?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylisoquinoline N-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.