2-(2-(2,4-Dihydroxyphenyl)-2-oxoethyl)pyridine 1-oxide
TL;DR: 2-(2-(2,4-Dihydroxyphenyl)-2-oxoethyl)pyridine 1-oxide (CAS 400822-37-9) is a chemical compound with molecular formula C13H11NO4 and molecular weight 245.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4-dihydroxyphenyl)-2-(1-oxidopyridin-1-ium-2-yl)ethanone
Also Known As: 2-(2-(2,4-dihydroxyphenyl)-2-oxoethyl)pyridine 1-oxide, 1-(2,4-dihydroxyphenyl)-2-(1-oxidopyridin-1-ium-2-yl)ethanone
| Molecular Formula | C13H11NO4 |
|---|---|
| Molecular Weight | 245.07 g/mol |
| LogP | 1.1566 |
| Topological Polar Surface Area | 84.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.0688 |
| Heavy Atoms | 18 |
| Complexity | 595.29517 |
Chemical Identifiers
| CAS Number | 400822-37-9 |
|---|---|
| SMILES | C1=CC=[N+](C(=C1)CC(=O)C2=C(C=C(C=C2)O)O)[O-] |
Product Overview
2-(2-(2,4-Dihydroxyphenyl)-2-oxoethyl)pyridine 1-oxide (CAS 400822-37-9), with molecular formula C13H11NO4 and molecular weight 245.07 g/mol. IUPAC: 1-(2,4-dihydroxyphenyl)-2-(1-oxidopyridin-1-ium-2-yl)ethanone.
Chemical Property Profile of 2-(2-(2,4-Dihydroxyphenyl)-2-oxoethyl)pyridine 1-oxide
Property Insights of 2-(2-(2,4-Dihydroxyphenyl)-2-oxoethyl)pyridine 1-oxide
The XLogP value of 1.1566 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-(2,4-Dihydroxyphenyl)-2-oxoethyl)pyridine 1-oxide. The TPSA of 84.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-(2,4-Dihydroxyphenyl)-2-oxoethyl)pyridine 1-oxide. Following Lipinski's Rule of Five, 2-(2-(2,4-Dihydroxyphenyl)-2-oxoethyl)pyridine 1-oxide has 2 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 2-(2-(2,4-Dihydroxyphenyl)-2-oxoethyl)pyridine 1-oxide?
The CAS number of 2-(2-(2,4-Dihydroxyphenyl)-2-oxoethyl)pyridine 1-oxide is 400822-37-9.
What is the molecular formula of 2-(2-(2,4-Dihydroxyphenyl)-2-oxoethyl)pyridine 1-oxide?
The molecular formula of 2-(2-(2,4-Dihydroxyphenyl)-2-oxoethyl)pyridine 1-oxide is C13H11NO4.
What is the molecular weight of 2-(2-(2,4-Dihydroxyphenyl)-2-oxoethyl)pyridine 1-oxide?
The molecular weight of 2-(2-(2,4-Dihydroxyphenyl)-2-oxoethyl)pyridine 1-oxide is 245.07 g/mol.
Where can I buy 2-(2-(2,4-Dihydroxyphenyl)-2-oxoethyl)pyridine 1-oxide?
You can request a quote for 2-(2-(2,4-Dihydroxyphenyl)-2-oxoethyl)pyridine 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-(2,4-Dihydroxyphenyl)-2-oxoethyl)pyridine 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-(2,4-Dihydroxyphenyl)-2-oxoethyl)pyridine 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.