Cinnolinium, 4-(hydroxymethoxyphosphinyl)-2-methyl-, inner salt
TL;DR: Cinnolinium, 4-(hydroxymethoxyphosphinyl)-2-methyl-, inner salt (CAS 109491-24-9) is a chemical compound with molecular formula C10H11N2O3P and molecular weight 238.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methoxy-(3-methylquinazolin-3-ium-4-yl)phosphinate
Also Known As: methyl(3-methylquinazolin-3-ium-4-yl)phosphonate, methoxy-(3-methylquinazolin-3-ium-4-yl)phosphinate, Cinnolinium, 4-(hydroxymethoxyphosphinyl)-2-methyl-, inner salt, Methyl (3-methylquinazolin-3-ium-4-yl)phosphonate, Methoxy-(3-methylquinazolin-4-yl)-oxido-oxo-phosphorane
| Molecular Formula | C10H11N2O3P |
|---|---|
| Molecular Weight | 238.05 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.05074 |
| Heavy Atoms | 16 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 109491-24-9 |
|---|---|
| SMILES | C[N+]1=C(C2=CC=CC=C2N=C1)P(=O)([O-])OC |
| InChIKey | PEKKNYVGWSOZPL-UHFFFAOYSA-N |
Product Overview
Cinnolinium, 4-(hydroxymethoxyphosphinyl)-2-methyl-, inner salt (CAS 109491-24-9), with molecular formula C10H11N2O3P and molecular weight 238.05 g/mol. IUPAC: methoxy-(3-methylquinazolin-3-ium-4-yl)phosphinate.
Chemical Property Profile of Cinnolinium, 4-(hydroxymethoxyphosphinyl)-2-methyl-, inner salt
Property Insights of Cinnolinium, 4-(hydroxymethoxyphosphinyl)-2-methyl-, inner salt
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cinnolinium, 4-(hydroxymethoxyphosphinyl)-2-methyl-, inner salt. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Cinnolinium, 4-(hydroxymethoxyphosphinyl)-2-methyl-, inner salt. Following Lipinski's Rule of Five, Cinnolinium, 4-(hydroxymethoxyphosphinyl)-2-methyl-, inner salt has 0 hydrogen bond donor(s) and 4 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 Cinnolinium, 4-(hydroxymethoxyphosphinyl)-2-methyl-, inner salt?
The CAS number of Cinnolinium, 4-(hydroxymethoxyphosphinyl)-2-methyl-, inner salt is 109491-24-9.
What is the molecular formula of Cinnolinium, 4-(hydroxymethoxyphosphinyl)-2-methyl-, inner salt?
The molecular formula of Cinnolinium, 4-(hydroxymethoxyphosphinyl)-2-methyl-, inner salt is C10H11N2O3P.
What is the molecular weight of Cinnolinium, 4-(hydroxymethoxyphosphinyl)-2-methyl-, inner salt?
The molecular weight of Cinnolinium, 4-(hydroxymethoxyphosphinyl)-2-methyl-, inner salt is 238.05 g/mol.
Where can I buy Cinnolinium, 4-(hydroxymethoxyphosphinyl)-2-methyl-, inner salt?
You can request a quote for Cinnolinium, 4-(hydroxymethoxyphosphinyl)-2-methyl-, inner salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cinnolinium, 4-(hydroxymethoxyphosphinyl)-2-methyl-, inner salt?
Yes, KEHONG BIO provides custom synthesis services for Cinnolinium, 4-(hydroxymethoxyphosphinyl)-2-methyl-, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.