3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-, 5-(2-(methyl(phenylmethyl)amino)ethyl) 3-(2-propoxyethyl) ester
TL;DR: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-, 5-(2-(methyl(phenylmethyl)amino)ethyl) 3-(2-propoxyethyl) ester (CAS 85387-23-1) is a chemical compound with molecular formula C30H37N3O8 and molecular weight 567.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-O-[2-[benzyl(methyl)amino]ethyl] 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-(methyl(phenylmethyl)amino)ethyl) 3-(2-propoxyethyl) ester, 5-O-[2-[benzyl(methyl)amino]ethyl] 3-O-(2-propoxyethyl) 2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, 3,5-Pyridinedicarboxylic acid,1,4-dihydro-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-,5-(2-(2-propenyloxy)ethyl) 3-(2-propoxyethyl) ester, 3,5-Pyridinedicarboxylicacid, 1,4-dihydro-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-,5-[2-[methyl(phenylmethyl)amino]ethyl] 3-(2-propoxyethyl) ester, 5-{2-[Benzyl(methyl)amino]ethyl} 3-(2-propoxyethyl) 2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
| Molecular Formula | C30H37N3O8 |
|---|---|
| Molecular Weight | 567.26 g/mol |
| LogP | 3.447 |
| Topological Polar Surface Area | 140.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 15 |
| Exact Mass | 567.25806 |
| Heavy Atoms | 41 |
| Complexity | 1275.5073 |
Chemical Identifiers
| CAS Number | 85387-23-1 |
|---|---|
| SMILES | CCCOCCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCN(C)CC3=CC=CC=C3)C)CO |
Product Overview
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-, 5-(2-(methyl(phenylmethyl)amino)ethyl) 3-(2-propoxyethyl) ester (CAS 85387-23-1), with molecular formula C30H37N3O8 and molecular weight 567.26 g/mol. IUPAC: 5-O-[2-[benzyl(methyl)amino]ethyl] 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-(methyl(phenylmethyl)amino)ethyl) 3-(2-propoxyethyl) ester
Property Insights of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-, 5-(2-(methyl(phenylmethyl)amino)ethyl) 3-(2-propoxyethyl) ester
The XLogP value of 3.447 indicates that 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-, 5-(2-(methyl(phenylmethyl)amino)ethyl) 3-(2-propoxyethyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.47 Ų indicates high polarity, suggesting 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-, 5-(2-(methyl(phenylmethyl)amino)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-(methyl(phenylmethyl)amino)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-(methyl(phenylmethyl)amino)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-(methyl(phenylmethyl)amino)ethyl) 3-(2-propoxyethyl) ester is 85387-23-1.
What is the molecular formula of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-, 5-(2-(methyl(phenylmethyl)amino)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-(methyl(phenylmethyl)amino)ethyl) 3-(2-propoxyethyl) ester is C30H37N3O8.
What is the molecular weight of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-, 5-(2-(methyl(phenylmethyl)amino)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-(methyl(phenylmethyl)amino)ethyl) 3-(2-propoxyethyl) ester is 567.26 g/mol.
Where can I buy 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-, 5-(2-(methyl(phenylmethyl)amino)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-(methyl(phenylmethyl)amino)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-(methyl(phenylmethyl)amino)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-(methyl(phenylmethyl)amino)ethyl) 3-(2-propoxyethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.