Quinolinium, 1-(2-methoxy-1-(methoxycarbonyl)-2-oxoethyl)-, hydroxide, inner salt
TL;DR: Quinolinium, 1-(2-methoxy-1-(methoxycarbonyl)-2-oxoethyl)-, hydroxide, inner salt (CAS 17870-64-3) is a chemical compound with molecular formula C14H13NO4 and molecular weight 259.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-1,3-dimethoxy-3-oxo-2-quinolin-1-ium-1-ylprop-1-en-1-olate
Also Known As: Quinolinium, 1-(2-methoxy-1-(methoxycarbonyl)-2-oxoethyl)-, hydroxide, inner salt, (Z)-1,3-dimethoxy-3-oxo-2-quinolin-1-ium-1-ylprop-1-en-1-olate, (1Z)-1,3-Dimethoxy-3-oxo-2-(quinolin-1-ium-1-yl)prop-1-en-1-olate
| Molecular Formula | C14H13NO4 |
|---|---|
| Molecular Weight | 259.08 g/mol |
| LogP | 0.4331 |
| Topological Polar Surface Area | 62.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.08447 |
| Heavy Atoms | 19 |
| Complexity | 643.441 |
Chemical Identifiers
| CAS Number | 17870-64-3 |
|---|---|
| SMILES | CO/C(=C(/C(=O)OC)\[N+]1=CC=CC2=CC=CC=C21)/[O-] |
Product Overview
Quinolinium, 1-(2-methoxy-1-(methoxycarbonyl)-2-oxoethyl)-, hydroxide, inner salt (CAS 17870-64-3), with molecular formula C14H13NO4 and molecular weight 259.08 g/mol. IUPAC: (Z)-1,3-dimethoxy-3-oxo-2-quinolin-1-ium-1-ylprop-1-en-1-olate.
Chemical Property Profile of Quinolinium, 1-(2-methoxy-1-(methoxycarbonyl)-2-oxoethyl)-, hydroxide, inner salt
Property Insights of Quinolinium, 1-(2-methoxy-1-(methoxycarbonyl)-2-oxoethyl)-, hydroxide, inner salt
The XLogP value of 0.4331 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quinolinium, 1-(2-methoxy-1-(methoxycarbonyl)-2-oxoethyl)-, hydroxide, inner salt. The TPSA of 62.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Quinolinium, 1-(2-methoxy-1-(methoxycarbonyl)-2-oxoethyl)-, hydroxide, inner salt. Following Lipinski's Rule of Five, Quinolinium, 1-(2-methoxy-1-(methoxycarbonyl)-2-oxoethyl)-, hydroxide, 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 Quinolinium, 1-(2-methoxy-1-(methoxycarbonyl)-2-oxoethyl)-, hydroxide, inner salt?
The CAS number of Quinolinium, 1-(2-methoxy-1-(methoxycarbonyl)-2-oxoethyl)-, hydroxide, inner salt is 17870-64-3.
What is the molecular formula of Quinolinium, 1-(2-methoxy-1-(methoxycarbonyl)-2-oxoethyl)-, hydroxide, inner salt?
The molecular formula of Quinolinium, 1-(2-methoxy-1-(methoxycarbonyl)-2-oxoethyl)-, hydroxide, inner salt is C14H13NO4.
What is the molecular weight of Quinolinium, 1-(2-methoxy-1-(methoxycarbonyl)-2-oxoethyl)-, hydroxide, inner salt?
The molecular weight of Quinolinium, 1-(2-methoxy-1-(methoxycarbonyl)-2-oxoethyl)-, hydroxide, inner salt is 259.08 g/mol.
Where can I buy Quinolinium, 1-(2-methoxy-1-(methoxycarbonyl)-2-oxoethyl)-, hydroxide, inner salt?
You can request a quote for Quinolinium, 1-(2-methoxy-1-(methoxycarbonyl)-2-oxoethyl)-, hydroxide, inner salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinolinium, 1-(2-methoxy-1-(methoxycarbonyl)-2-oxoethyl)-, hydroxide, inner salt?
Yes, KEHONG BIO provides custom synthesis services for Quinolinium, 1-(2-methoxy-1-(methoxycarbonyl)-2-oxoethyl)-, hydroxide, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.