4-Methyl-2-oxidocinnolin-2-ium
TL;DR: 4-Methyl-2-oxidocinnolin-2-ium (CAS 5580-85-8) 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-2-oxidocinnolin-2-ium
Also Known As: 4-Methylcinnoline 2-oxide, 4-Methylcinnoline2-oxide, 4-methyl-2-oxidocinnolin-2-ium, 4-methylcinnolin-2-ium-2-olate
| 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 | 5580-85-8 |
|---|---|
| SMILES | CC1=C[N+](=NC2=CC=CC=C12)[O-] |
| InChIKey | UCCRNHADHKZJED-UHFFFAOYSA-N |
Product Overview
4-Methyl-2-oxidocinnolin-2-ium (CAS 5580-85-8), with molecular formula C9H8N2O and molecular weight 160.06 g/mol. IUPAC: 4-methyl-2-oxidocinnolin-2-ium.
Chemical Property Profile of 4-Methyl-2-oxidocinnolin-2-ium
Property Insights of 4-Methyl-2-oxidocinnolin-2-ium
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-2-oxidocinnolin-2-ium. With a topological polar surface area (TPSA) of 38.4 Ų, 4-Methyl-2-oxidocinnolin-2-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-2-oxidocinnolin-2-ium 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-Methyl-2-oxidocinnolin-2-ium?
The CAS number of 4-Methyl-2-oxidocinnolin-2-ium is 5580-85-8.
What is the molecular formula of 4-Methyl-2-oxidocinnolin-2-ium?
The molecular formula of 4-Methyl-2-oxidocinnolin-2-ium is C9H8N2O.
What is the molecular weight of 4-Methyl-2-oxidocinnolin-2-ium?
The molecular weight of 4-Methyl-2-oxidocinnolin-2-ium is 160.06 g/mol.
Where can I buy 4-Methyl-2-oxidocinnolin-2-ium?
You can request a quote for 4-Methyl-2-oxidocinnolin-2-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-2-oxidocinnolin-2-ium?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-2-oxidocinnolin-2-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.