3-ethyl 5-isopropyl 4-{4-nitrophenyl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
TL;DR: 3-ethyl 5-isopropyl 4-{4-nitrophenyl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate (CAS 299404-29-8) is a chemical compound with molecular formula C20H24N2O6 and molecular weight 388.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-O-ethyl 5-O-propan-2-yl 2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: 3-ethyl 5-isopropyl 4-{4-nitrophenyl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate, ethyl propan-2-yl 2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, 3-O-ethyl 5-O-propan-2-yl 2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, 3-ethyl 5-isopropyl 2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
| Molecular Formula | C20H24N2O6 |
|---|---|
| Molecular Weight | 388.16 g/mol |
| LogP | 3.3443 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 388.16342 |
| Heavy Atoms | 28 |
| Complexity | 851.95184 |
Chemical Identifiers
| CAS Number | 299404-29-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC(C)C)C)C |
Product Overview
3-ethyl 5-isopropyl 4-{4-nitrophenyl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate (CAS 299404-29-8), with molecular formula C20H24N2O6 and molecular weight 388.16 g/mol. IUPAC: 3-O-ethyl 5-O-propan-2-yl 2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of 3-ethyl 5-isopropyl 4-{4-nitrophenyl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
Property Insights of 3-ethyl 5-isopropyl 4-{4-nitrophenyl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
The XLogP value of 3.3443 indicates that 3-ethyl 5-isopropyl 4-{4-nitrophenyl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-ethyl 5-isopropyl 4-{4-nitrophenyl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate. Following Lipinski's Rule of Five, 3-ethyl 5-isopropyl 4-{4-nitrophenyl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate has 1 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 3-ethyl 5-isopropyl 4-{4-nitrophenyl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate?
The CAS number of 3-ethyl 5-isopropyl 4-{4-nitrophenyl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate is 299404-29-8.
What is the molecular formula of 3-ethyl 5-isopropyl 4-{4-nitrophenyl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate?
The molecular formula of 3-ethyl 5-isopropyl 4-{4-nitrophenyl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate is C20H24N2O6.
What is the molecular weight of 3-ethyl 5-isopropyl 4-{4-nitrophenyl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate?
The molecular weight of 3-ethyl 5-isopropyl 4-{4-nitrophenyl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate is 388.16 g/mol.
Where can I buy 3-ethyl 5-isopropyl 4-{4-nitrophenyl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate?
You can request a quote for 3-ethyl 5-isopropyl 4-{4-nitrophenyl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-ethyl 5-isopropyl 4-{4-nitrophenyl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-ethyl 5-isopropyl 4-{4-nitrophenyl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.