![5-O-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate structure](/static/products/1089/108914-31-4.webp)
5-O-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
TL;DR: 5-O-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate (CAS 108914-31-4) is a chemical compound with molecular formula C22H26N2O8 and molecular weight 446.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-O-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: 5-O-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, (2,2-dimethyl-1,3-dioxolan-4-yl)methyl methyl ester, (2,2-DIMETHYL-1,3-DIOXOLAN-4-YL)METHYL METHYL 2,6-DIMETHYL-4-(3-NITROPHENYL)-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLATE, 3,5-Pyridinedicarboxylicacid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-,3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] 5-methyl ester, 3,5-Pyridinedicarboxylic acid,1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-,(2,2-dimethyl-1,3-dioxolan-4-yl)methyl methyl ester
| Molecular Formula | C22H26N2O8 |
|---|---|
| Molecular Weight | 446.17 g/mol |
| LogP | 2.6973 |
| Topological Polar Surface Area | 126.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.1689 |
| Heavy Atoms | 32 |
| Complexity | 1010.9381 |
Chemical Identifiers
| CAS Number | 108914-31-4 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OCC2COC(O2)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC |
Product Overview
5-O-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate (CAS 108914-31-4), with molecular formula C22H26N2O8 and molecular weight 446.17 g/mol. IUPAC: 5-O-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of 5-O-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Property Insights of 5-O-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
The XLogP value of 2.6973 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-O-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate. The TPSA of 126.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-O-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate. Following Lipinski's Rule of Five, 5-O-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate has 1 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 5-O-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
The CAS number of 5-O-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate is 108914-31-4.
What is the molecular formula of 5-O-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
The molecular formula of 5-O-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate is C22H26N2O8.
What is the molecular weight of 5-O-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
The molecular weight of 5-O-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate is 446.17 g/mol.
Where can I buy 5-O-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
You can request a quote for 5-O-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-O-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 5-O-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.