RefChem:1085054
TL;DR: RefChem:1085054 (CAS 50698-12-9) is a chemical compound with molecular formula C19H22N2O6 and molecular weight 374.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-O-ethyl 3-O-methyl 1,2,6-trimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate
Also Known As: Ethyl methyl 1,2,6-trimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(3-nitrophenyl)-1,2,6-trimethyl-, ethyl methyl ester, 5-O-ethyl 3-O-methyl 1,2,6-trimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate, RefChem:1085054
| Molecular Formula | C19H22N2O6 |
|---|---|
| Molecular Weight | 374.15 g/mol |
| LogP | 2.9079 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.1478 |
| Heavy Atoms | 27 |
| Complexity | 855.5108 |
Chemical Identifiers
| CAS Number | 50698-12-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)C)C |
Product Overview
RefChem:1085054 (CAS 50698-12-9), with molecular formula C19H22N2O6 and molecular weight 374.15 g/mol. IUPAC: 5-O-ethyl 3-O-methyl 1,2,6-trimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate.
Chemical Property Profile of RefChem:1085054
Property Insights of RefChem:1085054
The XLogP value of 2.9079 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1085054. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1085054. Following Lipinski's Rule of Five, RefChem:1085054 has 0 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 RefChem:1085054?
The CAS number of RefChem:1085054 is 50698-12-9.
What is the molecular formula of RefChem:1085054?
The molecular formula of RefChem:1085054 is C19H22N2O6.
What is the molecular weight of RefChem:1085054?
The molecular weight of RefChem:1085054 is 374.15 g/mol.
Where can I buy RefChem:1085054?
You can request a quote for RefChem:1085054 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1085054?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1085054 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.