3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-, 5-ethyl 3-(2-propoxyethyl) ester
TL;DR: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-, 5-ethyl 3-(2-propoxyethyl) ester (CAS 85387-06-0) is a chemical compound with molecular formula C22H28N2O8 and molecular weight 448.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-O-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-ethyl 3-(2-propoxyethyl) ester, 5-O-ethyl 3-O-(2-propoxyethyl) 2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, 2-propoxyethyl ethyl 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-ethyl 3-(2-propoxyethyl) ester, 5-Ethyl 3-(2-propoxyethyl) 1,4-dihydro-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate
| Molecular Formula | C22H28N2O8 |
|---|---|
| Molecular Weight | 448.18 g/mol |
| LogP | 2.3349 |
| Topological Polar Surface Area | 137.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 448.18457 |
| Heavy Atoms | 32 |
| Complexity | 922.2608 |
Chemical Identifiers
| CAS Number | 85387-06-0 |
|---|---|
| SMILES | CCCOCCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)C)CO |
Product Overview
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-, 5-ethyl 3-(2-propoxyethyl) ester (CAS 85387-06-0), with molecular formula C22H28N2O8 and molecular weight 448.18 g/mol. IUPAC: 5-O-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-ethyl 3-(2-propoxyethyl) ester
Property Insights of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-, 5-ethyl 3-(2-propoxyethyl) ester
The XLogP value of 2.3349 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-ethyl 3-(2-propoxyethyl) ester. The TPSA of 137.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-, 5-ethyl 3-(2-propoxyethyl) ester. Following Lipinski's Rule of Five, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-, 5-ethyl 3-(2-propoxyethyl) ester has 2 hydrogen bond donor(s) and 9 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 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-, 5-ethyl 3-(2-propoxyethyl) ester?
The CAS number of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-, 5-ethyl 3-(2-propoxyethyl) ester is 85387-06-0.
What is the molecular formula of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-, 5-ethyl 3-(2-propoxyethyl) ester?
The molecular formula of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-, 5-ethyl 3-(2-propoxyethyl) ester is C22H28N2O8.
What is the molecular weight of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-, 5-ethyl 3-(2-propoxyethyl) ester?
The molecular weight of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-, 5-ethyl 3-(2-propoxyethyl) ester is 448.18 g/mol.
Where can I buy 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-, 5-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-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-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-ethyl 3-(2-propoxyethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.