3-Pyridinecarboxylic acid, 2-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl ester
TL;DR: 3-Pyridinecarboxylic acid, 2-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl ester (CAS 19767-91-0) is a chemical compound with molecular formula C15H13NO5 and molecular weight 287.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl] pyridine-3-carboxylate
Also Known As: 2-(4-Hydroxy-3-methoxyphenyl)-2-oxoethyl nicotinate, alpha-Nicotinoyloxy-4-hydroxy-3-methoxyacetophenone, Nicotinic acid, 2-ester with 2,4'-dihydroxy-3'-methoxyacetophenone, [2-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl] pyridine-3-carboxylate, Acetophenone, 2,4'-dihydroxy-3'-methoxy-, 2-nicotinate
| Molecular Formula | C15H13NO5 |
|---|---|
| Molecular Weight | 287.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 85.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 287.07938 |
| Heavy Atoms | 21 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 19767-91-0 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C(=O)COC(=O)C2=CN=CC=C2)O |
| InChIKey | FELGAPTYPKHPJC-UHFFFAOYSA-N |
Product Overview
3-Pyridinecarboxylic acid, 2-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl ester (CAS 19767-91-0), with molecular formula C15H13NO5 and molecular weight 287.08 g/mol. IUPAC: [2-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl] pyridine-3-carboxylate.
Chemical Property Profile of 3-Pyridinecarboxylic acid, 2-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl ester
Property Insights of 3-Pyridinecarboxylic acid, 2-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyridinecarboxylic acid, 2-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl ester. The TPSA of 85.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Pyridinecarboxylic acid, 2-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl ester. Following Lipinski's Rule of Five, 3-Pyridinecarboxylic acid, 2-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl ester has 1 hydrogen bond donor(s) and 6 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 3-Pyridinecarboxylic acid, 2-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl ester?
The CAS number of 3-Pyridinecarboxylic acid, 2-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl ester is 19767-91-0.
What is the molecular formula of 3-Pyridinecarboxylic acid, 2-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl ester?
The molecular formula of 3-Pyridinecarboxylic acid, 2-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl ester is C15H13NO5.
What is the molecular weight of 3-Pyridinecarboxylic acid, 2-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl ester?
The molecular weight of 3-Pyridinecarboxylic acid, 2-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl ester is 287.08 g/mol.
Where can I buy 3-Pyridinecarboxylic acid, 2-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl ester?
You can request a quote for 3-Pyridinecarboxylic acid, 2-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridinecarboxylic acid, 2-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarboxylic acid, 2-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.