CTK4E6095
TL;DR: CTK4E6095 (CAS 21203-88-3) is a chemical compound with molecular formula C21H26N2O8 and molecular weight 434.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4-(4,5-dimethoxy-2-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: Diethyl 4-(4,5-dimethoxy-2-nitrophenyl)-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate, diethyl 4-(4,5-dimethoxy-2-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, 2,6-Dimethyl-4-(2-nitro-4,5-dimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester, 3,5-DIETHYL 4-(4,5-DIMETHOXY-2-NITROPHENYL)-2,6-DIMETHYL-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLATE, 3,5-Pyridinedicarboxylicacid, 4-(4,5-dimethoxy-2-nitrophenyl)-1,4-dihydro-2,6-dimethyl-, 3,5-diethylester
| Molecular Formula | C21H26N2O8 |
|---|---|
| Molecular Weight | 434.17 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 434.1689 |
| Heavy Atoms | 31 |
| Complexity | 730.0 |
Chemical Identifiers
| CAS Number | 21203-88-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)C(=O)OCC)C)C |
| InChIKey | DEVHMZKJIJMPBI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
CTK4E6095 (CAS 21203-88-3), with molecular formula C21H26N2O8 and molecular weight 434.17 g/mol. IUPAC: diethyl 4-(4,5-dimethoxy-2-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of CTK4E6095
Property Insights of CTK4E6095
The XLogP value of 3.1 indicates that CTK4E6095 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK4E6095. Following Lipinski's Rule of Five, CTK4E6095 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 CTK4E6095?
The CAS number of CTK4E6095 is 21203-88-3.
What is the molecular formula of CTK4E6095?
The molecular formula of CTK4E6095 is C21H26N2O8.
What is the molecular weight of CTK4E6095?
The molecular weight of CTK4E6095 is 434.17 g/mol.
Where can I buy CTK4E6095?
You can request a quote for CTK4E6095 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK4E6095?
Yes, KEHONG BIO provides custom synthesis services for CTK4E6095 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.