2-Hydroxy-3-(2-methylphenoxy)propyl pyridine-3-carboxylate
TL;DR: 2-Hydroxy-3-(2-methylphenoxy)propyl pyridine-3-carboxylate (CAS 533-07-3) is a chemical compound with molecular formula C16H17NO4 and molecular weight 287.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-hydroxy-3-(2-methylphenoxy)propyl] pyridine-3-carboxylate
Also Known As: Mephenesin nicotinate, 3-(o-Tolyloxy)-2-hydroxypropyl-1-nicotinate, 3-Pyridinecarboxylicacid2-hydroxy-3- propylester, 2-HYDROXY-3-(2-METHYLPHENOXY)PROPYL PYRIDINE-3-CARBOXYLATE, 3-(O-TOLYLOXY)-1,2-PROPANEDIOL NICOTINATE
| Molecular Formula | C16H17NO4 |
|---|---|
| Molecular Weight | 287.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 68.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 287.11575 |
| Heavy Atoms | 21 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 533-07-3 |
|---|---|
| SMILES | CC1=CC=CC=C1OCC(COC(=O)C2=CN=CC=C2)O |
| InChIKey | KCCUXQNIEYYDAM-UHFFFAOYSA-N |
Product Overview
2-Hydroxy-3-(2-methylphenoxy)propyl pyridine-3-carboxylate (CAS 533-07-3), with molecular formula C16H17NO4 and molecular weight 287.12 g/mol. IUPAC: [2-hydroxy-3-(2-methylphenoxy)propyl] pyridine-3-carboxylate.
Chemical Property Profile of 2-Hydroxy-3-(2-methylphenoxy)propyl pyridine-3-carboxylate
Property Insights of 2-Hydroxy-3-(2-methylphenoxy)propyl pyridine-3-carboxylate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxy-3-(2-methylphenoxy)propyl pyridine-3-carboxylate. The TPSA of 68.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hydroxy-3-(2-methylphenoxy)propyl pyridine-3-carboxylate. Following Lipinski's Rule of Five, 2-Hydroxy-3-(2-methylphenoxy)propyl pyridine-3-carboxylate has 1 hydrogen bond donor(s) and 5 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-Hydroxy-3-(2-methylphenoxy)propyl pyridine-3-carboxylate?
The CAS number of 2-Hydroxy-3-(2-methylphenoxy)propyl pyridine-3-carboxylate is 533-07-3.
What is the molecular formula of 2-Hydroxy-3-(2-methylphenoxy)propyl pyridine-3-carboxylate?
The molecular formula of 2-Hydroxy-3-(2-methylphenoxy)propyl pyridine-3-carboxylate is C16H17NO4.
What is the molecular weight of 2-Hydroxy-3-(2-methylphenoxy)propyl pyridine-3-carboxylate?
The molecular weight of 2-Hydroxy-3-(2-methylphenoxy)propyl pyridine-3-carboxylate is 287.12 g/mol.
Where can I buy 2-Hydroxy-3-(2-methylphenoxy)propyl pyridine-3-carboxylate?
You can request a quote for 2-Hydroxy-3-(2-methylphenoxy)propyl pyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxy-3-(2-methylphenoxy)propyl pyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxy-3-(2-methylphenoxy)propyl pyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.