3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-, 5-(2-(2-propenyloxy)ethyl) 3-(2-propoxyethyl) ester
TL;DR: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-, 5-(2-(2-propenyloxy)ethyl) 3-(2-propoxyethyl) ester (CAS 85387-16-2) is a chemical compound with molecular formula C25H32N2O9 and molecular weight 504.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-O-(2-prop-2-enoxyethyl) 3-O-(2-propoxyethyl) 2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-, 5-(2-(2-propenyloxy)ethyl) 3-(2-propoxyethyl) ester, 5-O-(2-prop-2-enoxyethyl) 3-O-(2-propoxyethyl) 2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, 3,5-Pyridinedicarboxylicacid,1,4-dihydro-2- -6-methyl-4- -,5-(2- 3- ester, 3,5-Pyridinedicarboxylic acid,1,4-dihydro-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-,5-(2-(2-propenyloxy)ethyl) 3-(2-propoxyethyl) ester, 5-{2-[(Prop-2-en-1-yl)oxy]ethyl} 3-(2-propoxyethyl) 2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
| Molecular Formula | C25H32N2O9 |
|---|---|
| Molecular Weight | 504.21 g/mol |
| LogP | 2.5176 |
| Topological Polar Surface Area | 146.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 15 |
| Exact Mass | 504.2108 |
| Heavy Atoms | 36 |
| Complexity | 1016.5372 |
Chemical Identifiers
| CAS Number | 85387-16-2 |
|---|---|
| SMILES | CCCOCCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCOCC=C)C)CO |
Product Overview
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-, 5-(2-(2-propenyloxy)ethyl) 3-(2-propoxyethyl) ester (CAS 85387-16-2), with molecular formula C25H32N2O9 and molecular weight 504.21 g/mol. IUPAC: 5-O-(2-prop-2-enoxyethyl) 3-O-(2-propoxyethyl) 2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-, 5-(2-(2-propenyloxy)ethyl) 3-(2-propoxyethyl) ester
Property Insights of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-, 5-(2-(2-propenyloxy)ethyl) 3-(2-propoxyethyl) ester
The XLogP value of 2.5176 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-, 5-(2-(2-propenyloxy)ethyl) 3-(2-propoxyethyl) ester. The TPSA of 146.46 Ų indicates high polarity, suggesting 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-, 5-(2-(2-propenyloxy)ethyl) 3-(2-propoxyethyl) ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-, 5-(2-(2-propenyloxy)ethyl) 3-(2-propoxyethyl) ester has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-, 5-(2-(2-propenyloxy)ethyl) 3-(2-propoxyethyl) ester?
The CAS number of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-, 5-(2-(2-propenyloxy)ethyl) 3-(2-propoxyethyl) ester is 85387-16-2.
What is the molecular formula of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-, 5-(2-(2-propenyloxy)ethyl) 3-(2-propoxyethyl) ester?
The molecular formula of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-, 5-(2-(2-propenyloxy)ethyl) 3-(2-propoxyethyl) ester is C25H32N2O9.
What is the molecular weight of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-, 5-(2-(2-propenyloxy)ethyl) 3-(2-propoxyethyl) ester?
The molecular weight of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-, 5-(2-(2-propenyloxy)ethyl) 3-(2-propoxyethyl) ester is 504.21 g/mol.
Where can I buy 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-, 5-(2-(2-propenyloxy)ethyl) 3-(2-propoxyethyl) ester?
You can request a quote for 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-, 5-(2-(2-propenyloxy)ethyl) 3-(2-propoxyethyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-, 5-(2-(2-propenyloxy)ethyl) 3-(2-propoxyethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-, 5-(2-(2-propenyloxy)ethyl) 3-(2-propoxyethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.