Nicotinic acid, ((o-methoxyphenoxy)methyl)ethylene ester
TL;DR: Nicotinic acid, ((o-methoxyphenoxy)methyl)ethylene ester (CAS 18729-37-8) is a chemical compound with molecular formula C22H20N2O6 and molecular weight 408.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2-methoxyphenoxy)-2-(pyridine-3-carbonyloxy)propyl] pyridine-3-carboxylate
Also Known As: 3-(o-Methoxyphenoxy)-1,2-propanediol dinicotinate, NICOTINIC ACID, ((o-METHOXYPHENOXY)METHYL)ETHYLENE ESTER, 3-(2-methoxyphenoxy)propane-1,2-diyl dipyridine-3-carboxylate, NICOTINIC ACID ((O-METHOXYPHENOXY)METHYL)ETHYLENE ESTER, [3-(2-methoxyphenoxy)-2-(pyridine-3-carbonyloxy)propyl] pyridine-3-carboxylate
| Molecular Formula | C22H20N2O6 |
|---|---|
| Molecular Weight | 408.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 96.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 408.13214 |
| Heavy Atoms | 30 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 18729-37-8 |
|---|---|
| SMILES | COC1=CC=CC=C1OCC(COC(=O)C2=CN=CC=C2)OC(=O)C3=CN=CC=C3 |
| InChIKey | KMOVXPOORWLEPL-UHFFFAOYSA-N |
Product Overview
Nicotinic acid, ((o-methoxyphenoxy)methyl)ethylene ester (CAS 18729-37-8), with molecular formula C22H20N2O6 and molecular weight 408.13 g/mol. IUPAC: [3-(2-methoxyphenoxy)-2-(pyridine-3-carbonyloxy)propyl] pyridine-3-carboxylate.
Chemical Property Profile of Nicotinic acid, ((o-methoxyphenoxy)methyl)ethylene ester
Property Insights of Nicotinic acid, ((o-methoxyphenoxy)methyl)ethylene ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nicotinic acid, ((o-methoxyphenoxy)methyl)ethylene ester. The TPSA of 96.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Nicotinic acid, ((o-methoxyphenoxy)methyl)ethylene ester. Following Lipinski's Rule of Five, Nicotinic acid, ((o-methoxyphenoxy)methyl)ethylene ester has 0 hydrogen bond donor(s) and 8 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 Nicotinic acid, ((o-methoxyphenoxy)methyl)ethylene ester?
The CAS number of Nicotinic acid, ((o-methoxyphenoxy)methyl)ethylene ester is 18729-37-8.
What is the molecular formula of Nicotinic acid, ((o-methoxyphenoxy)methyl)ethylene ester?
The molecular formula of Nicotinic acid, ((o-methoxyphenoxy)methyl)ethylene ester is C22H20N2O6.
What is the molecular weight of Nicotinic acid, ((o-methoxyphenoxy)methyl)ethylene ester?
The molecular weight of Nicotinic acid, ((o-methoxyphenoxy)methyl)ethylene ester is 408.13 g/mol.
Where can I buy Nicotinic acid, ((o-methoxyphenoxy)methyl)ethylene ester?
You can request a quote for Nicotinic acid, ((o-methoxyphenoxy)methyl)ethylene ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nicotinic acid, ((o-methoxyphenoxy)methyl)ethylene ester?
Yes, KEHONG BIO provides custom synthesis services for Nicotinic acid, ((o-methoxyphenoxy)methyl)ethylene ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.