3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-bis(hydroxymethyl)-4-(3-nitrophenyl)-, ethyl 2-propoxyethyl ester
TL;DR: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-bis(hydroxymethyl)-4-(3-nitrophenyl)-, ethyl 2-propoxyethyl ester (CAS 85387-26-4) is a chemical compound with molecular formula C22H28N2O9 and molecular weight 464.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-O-ethyl 5-O-(2-propoxyethyl) 2,6-bis(hydroxymethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-bis(hydroxymethyl)-4-(3-nitrophenyl)-, ethyl 2-propoxyethyl ester, 2-PROPOXYETHYL ETHYL 2,6-BIS(HYDROXYMETHYL)-4-(3-NITROPHENYL)-1,4-DIHY DROPYRIDINE-3,5-DICARBOXYLATE, 2-propoxyethylethyl2,6-bis -4- -1,4-dihydropyridine-3,5-dicarboxylate, 3-O-ethyl 5-O-(2-propoxyethyl) 2,6-bis(hydroxymethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, Ethyl 2-propoxyethyl 2,6-bis(hydroxymethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
| Molecular Formula | C22H28N2O9 |
|---|---|
| Molecular Weight | 464.18 g/mol |
| LogP | 1.3073 |
| Topological Polar Surface Area | 157.46 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 464.17947 |
| Heavy Atoms | 33 |
| Complexity | 939.54913 |
Chemical Identifiers
| CAS Number | 85387-26-4 |
|---|---|
| SMILES | CCCOCCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)CO)CO |
Product Overview
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-bis(hydroxymethyl)-4-(3-nitrophenyl)-, ethyl 2-propoxyethyl ester (CAS 85387-26-4), with molecular formula C22H28N2O9 and molecular weight 464.18 g/mol. IUPAC: 3-O-ethyl 5-O-(2-propoxyethyl) 2,6-bis(hydroxymethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-bis(hydroxymethyl)-4-(3-nitrophenyl)-, ethyl 2-propoxyethyl ester
Property Insights of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-bis(hydroxymethyl)-4-(3-nitrophenyl)-, ethyl 2-propoxyethyl ester
The XLogP value of 1.3073 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-bis(hydroxymethyl)-4-(3-nitrophenyl)-, ethyl 2-propoxyethyl ester. The TPSA of 157.46 Ų indicates high polarity, suggesting 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-bis(hydroxymethyl)-4-(3-nitrophenyl)-, ethyl 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-2,6-bis(hydroxymethyl)-4-(3-nitrophenyl)-, ethyl 2-propoxyethyl ester has 3 hydrogen bond donor(s) and 10 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-2,6-bis(hydroxymethyl)-4-(3-nitrophenyl)-, ethyl 2-propoxyethyl ester?
The CAS number of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-bis(hydroxymethyl)-4-(3-nitrophenyl)-, ethyl 2-propoxyethyl ester is 85387-26-4.
What is the molecular formula of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-bis(hydroxymethyl)-4-(3-nitrophenyl)-, ethyl 2-propoxyethyl ester?
The molecular formula of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-bis(hydroxymethyl)-4-(3-nitrophenyl)-, ethyl 2-propoxyethyl ester is C22H28N2O9.
What is the molecular weight of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-bis(hydroxymethyl)-4-(3-nitrophenyl)-, ethyl 2-propoxyethyl ester?
The molecular weight of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-bis(hydroxymethyl)-4-(3-nitrophenyl)-, ethyl 2-propoxyethyl ester is 464.18 g/mol.
Where can I buy 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-bis(hydroxymethyl)-4-(3-nitrophenyl)-, ethyl 2-propoxyethyl ester?
You can request a quote for 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-bis(hydroxymethyl)-4-(3-nitrophenyl)-, ethyl 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-2,6-bis(hydroxymethyl)-4-(3-nitrophenyl)-, ethyl 2-propoxyethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-bis(hydroxymethyl)-4-(3-nitrophenyl)-, ethyl 2-propoxyethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.