RefChem:1066017
TL;DR: RefChem:1066017 (CAS 102106-14-9) is a chemical compound with molecular formula C23H22N2O7 and molecular weight 438.1427 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-O-[(E)-3-(furan-2-yl)prop-2-enyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-(2-furanyl)-2-propenyl methyl ester, 5-O-[(E)-3-(furan-2-yl)prop-2-enyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Technical Specifications
| Molecular Formula | C23H22N2O7 |
| Molecular Weight | 438.1427 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 438.1427 Da |
| Heavy Atoms | 32 |
| Complexity | 840.0 |
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OC/C=C/C2=CC=CO2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC |
| InChIKey | HDOAVYJMUWBPSW-UXBLZVDNSA-N |
Chemical Property Profile of RefChem:1066017
Property Insights of RefChem:1066017
The XLogP value of 3.8 indicates that RefChem:1066017 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1066017. Following Lipinski's Rule of Five, RefChem:1066017 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1066017?
The CAS number of RefChem:1066017 is 102106-14-9.
What is the molecular formula of RefChem:1066017?
The molecular formula of RefChem:1066017 is C23H22N2O7.
What is the molecular weight of RefChem:1066017?
The molecular weight of RefChem:1066017 is 438.1427 g/mol.
Where can I buy RefChem:1066017?
You can request a quote for RefChem:1066017 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1066017?
Yes, CoreyChem provides custom synthesis services for RefChem:1066017 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.