3-(2-Methylphenoxy)propane-1,2-diyl dipyridine-3-carboxylate
TL;DR: 3-(2-Methylphenoxy)propane-1,2-diyl dipyridine-3-carboxylate (CAS 19251-71-9) is a chemical compound with molecular formula C22H20N2O5 and molecular weight 392.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2-methylphenoxy)-2-(pyridine-3-carbonyloxy)propyl] pyridine-3-carboxylate
Also Known As: Mephenesin dinicotinate, 3-(o-Tolyloxy)-1,2-propanediol dinicotinate, NICOTINIC ACID, ((o-TOLYLOXY)METHYL)ETHYLENE ESTER, 3-(2-Methylphenoxy)propane-1,2-diyl dipyridine-3-carboxylate, 3-Pyridinecarboxylic acid, 1-((2-methylphenoxy)methyl)-1,2-ethanediyl ester
| Molecular Formula | C22H20N2O5 |
|---|---|
| Molecular Weight | 392.14 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 87.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 392.1372 |
| Heavy Atoms | 29 |
| Complexity | 529.0 |
Chemical Identifiers
| CAS Number | 19251-71-9 |
|---|---|
| SMILES | CC1=CC=CC=C1OCC(COC(=O)C2=CN=CC=C2)OC(=O)C3=CN=CC=C3 |
| InChIKey | SJWNXTHLFBNQEY-UHFFFAOYSA-N |
Product Overview
3-(2-Methylphenoxy)propane-1,2-diyl dipyridine-3-carboxylate (CAS 19251-71-9), with molecular formula C22H20N2O5 and molecular weight 392.14 g/mol. IUPAC: [3-(2-methylphenoxy)-2-(pyridine-3-carbonyloxy)propyl] pyridine-3-carboxylate.
Chemical Property Profile of 3-(2-Methylphenoxy)propane-1,2-diyl dipyridine-3-carboxylate
Property Insights of 3-(2-Methylphenoxy)propane-1,2-diyl dipyridine-3-carboxylate
The XLogP value of 3.3 indicates that 3-(2-Methylphenoxy)propane-1,2-diyl dipyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Methylphenoxy)propane-1,2-diyl dipyridine-3-carboxylate. Following Lipinski's Rule of Five, 3-(2-Methylphenoxy)propane-1,2-diyl dipyridine-3-carboxylate has 0 hydrogen bond donor(s) and 7 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-(2-Methylphenoxy)propane-1,2-diyl dipyridine-3-carboxylate?
The CAS number of 3-(2-Methylphenoxy)propane-1,2-diyl dipyridine-3-carboxylate is 19251-71-9.
What is the molecular formula of 3-(2-Methylphenoxy)propane-1,2-diyl dipyridine-3-carboxylate?
The molecular formula of 3-(2-Methylphenoxy)propane-1,2-diyl dipyridine-3-carboxylate is C22H20N2O5.
What is the molecular weight of 3-(2-Methylphenoxy)propane-1,2-diyl dipyridine-3-carboxylate?
The molecular weight of 3-(2-Methylphenoxy)propane-1,2-diyl dipyridine-3-carboxylate is 392.14 g/mol.
Where can I buy 3-(2-Methylphenoxy)propane-1,2-diyl dipyridine-3-carboxylate?
You can request a quote for 3-(2-Methylphenoxy)propane-1,2-diyl dipyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Methylphenoxy)propane-1,2-diyl dipyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Methylphenoxy)propane-1,2-diyl dipyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.