4-Methylcinnoline 1-oxide
TL;DR: 4-Methylcinnoline 1-oxide (CAS 5580-86-9) is a chemical compound with molecular formula C9H8N2O and molecular weight 160.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-1-oxidocinnolin-1-ium
Also Known As: 4-Methylcinnoline 1-oxide, Cinnoline, 1-oxide, 4-Me-Cinnoline 1-oxide, 4-methyl-1-oxidocinnolin-1-ium, Cinnoline, 4-methyl-, 1-oxide
| Molecular Formula | C9H8N2O |
|---|---|
| Molecular Weight | 160.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 38.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 160.06366 |
| Heavy Atoms | 12 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 5580-86-9 |
|---|---|
| SMILES | CC1=CN=[N+](C2=CC=CC=C12)[O-] |
| InChIKey | BOUMDIGPGFJRGZ-UHFFFAOYSA-N |
Product Overview
4-Methylcinnoline 1-oxide (CAS 5580-86-9), with molecular formula C9H8N2O and molecular weight 160.06 g/mol. IUPAC: 4-methyl-1-oxidocinnolin-1-ium.
Chemical Property Profile of 4-Methylcinnoline 1-oxide
Property Insights of 4-Methylcinnoline 1-oxide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylcinnoline 1-oxide. With a topological polar surface area (TPSA) of 38.4 Ų, 4-Methylcinnoline 1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylcinnoline 1-oxide has 0 hydrogen bond donor(s) and 2 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 4-Methylcinnoline 1-oxide?
The CAS number of 4-Methylcinnoline 1-oxide is 5580-86-9.
What is the molecular formula of 4-Methylcinnoline 1-oxide?
The molecular formula of 4-Methylcinnoline 1-oxide is C9H8N2O.
What is the molecular weight of 4-Methylcinnoline 1-oxide?
The molecular weight of 4-Methylcinnoline 1-oxide is 160.06 g/mol.
Where can I buy 4-Methylcinnoline 1-oxide?
You can request a quote for 4-Methylcinnoline 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylcinnoline 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylcinnoline 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.