RefChem:1066022
TL;DR: RefChem:1066022 (CAS 102106-20-7) is a chemical compound with molecular formula C30H28N2O6 and molecular weight 512.19476 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-O-methyl 5-O-[(Z)-4-naphthalen-2-ylbut-3-enyl] 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)-, methyl 4-(2-naphthalenyl)-3-butenyl ester, (Z)-, 3-O-methyl 5-O-[(Z)-4-naphthalen-2-ylbut-3-enyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Technical Specifications
| Molecular Formula | C30H28N2O6 |
| Molecular Weight | 512.19476 g/mol |
| XLogP | 6.4 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 512.19476 Da |
| Heavy Atoms | 38 |
| Complexity | 993.0 |
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OCC/C=C\C2=CC3=CC=CC=C3C=C2)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC |
| InChIKey | FTVJQPPBOIJVEH-TWGQIWQCSA-N |
Chemical Property Profile of RefChem:1066022
Property Insights of RefChem:1066022
The XLogP value of 6.4 indicates that RefChem:1066022 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1066022. Following Lipinski's Rule of Five, RefChem:1066022 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1066022?
The CAS number of RefChem:1066022 is 102106-20-7.
What is the molecular formula of RefChem:1066022?
The molecular formula of RefChem:1066022 is C30H28N2O6.
What is the molecular weight of RefChem:1066022?
The molecular weight of RefChem:1066022 is 512.19476 g/mol.
Where can I buy RefChem:1066022?
You can request a quote for RefChem:1066022 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1066022?
Yes, CoreyChem provides custom synthesis services for RefChem:1066022 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.