Diethyl (2-methyl-3-hydroxy-4-hydroxymethyl-5-pyridylmethyl)malonate
TL;DR: Diethyl (2-methyl-3-hydroxy-4-hydroxymethyl-5-pyridylmethyl)malonate (CAS 6562-96-5) is a chemical compound with molecular formula C15H21NO6 and molecular weight 311.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl]propanedioate
Also Known As: diethyl (2-methyl-3-hydroxy-4-hydroxymethyl-5-pyridylmethyl)malonate, diethyl(2-methyl-3-hydroxy-4-hydroxymethyl-5-pyridylmethyl)malonate, 1,3-Diethyl 2-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl]propanedioate, Diethyl {[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl}propanedioate, Diethyl 2-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-pyridin-3-yl]methyl]propanedioate
| Molecular Formula | C15H21NO6 |
|---|---|
| Molecular Weight | 311.14 g/mol |
| LogP | 0.87282 |
| Topological Polar Surface Area | 105.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 311.1369 |
| Heavy Atoms | 22 |
| Complexity | 525.07935 |
Chemical Identifiers
| CAS Number | 6562-96-5 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CN=C(C(=C1CO)O)C)C(=O)OCC |
Product Overview
Diethyl (2-methyl-3-hydroxy-4-hydroxymethyl-5-pyridylmethyl)malonate (CAS 6562-96-5), with molecular formula C15H21NO6 and molecular weight 311.14 g/mol. IUPAC: diethyl 2-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl]propanedioate.
Chemical Property Profile of Diethyl (2-methyl-3-hydroxy-4-hydroxymethyl-5-pyridylmethyl)malonate
Property Insights of Diethyl (2-methyl-3-hydroxy-4-hydroxymethyl-5-pyridylmethyl)malonate
The XLogP value of 0.87282 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl (2-methyl-3-hydroxy-4-hydroxymethyl-5-pyridylmethyl)malonate. The TPSA of 105.95 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl (2-methyl-3-hydroxy-4-hydroxymethyl-5-pyridylmethyl)malonate. Following Lipinski's Rule of Five, Diethyl (2-methyl-3-hydroxy-4-hydroxymethyl-5-pyridylmethyl)malonate has 2 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 Diethyl (2-methyl-3-hydroxy-4-hydroxymethyl-5-pyridylmethyl)malonate?
The CAS number of Diethyl (2-methyl-3-hydroxy-4-hydroxymethyl-5-pyridylmethyl)malonate is 6562-96-5.
What is the molecular formula of Diethyl (2-methyl-3-hydroxy-4-hydroxymethyl-5-pyridylmethyl)malonate?
The molecular formula of Diethyl (2-methyl-3-hydroxy-4-hydroxymethyl-5-pyridylmethyl)malonate is C15H21NO6.
What is the molecular weight of Diethyl (2-methyl-3-hydroxy-4-hydroxymethyl-5-pyridylmethyl)malonate?
The molecular weight of Diethyl (2-methyl-3-hydroxy-4-hydroxymethyl-5-pyridylmethyl)malonate is 311.14 g/mol.
Where can I buy Diethyl (2-methyl-3-hydroxy-4-hydroxymethyl-5-pyridylmethyl)malonate?
You can request a quote for Diethyl (2-methyl-3-hydroxy-4-hydroxymethyl-5-pyridylmethyl)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl (2-methyl-3-hydroxy-4-hydroxymethyl-5-pyridylmethyl)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl (2-methyl-3-hydroxy-4-hydroxymethyl-5-pyridylmethyl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.