2,6-Dimethyl-3,5-dinitro-4-phenyl-1,4-dihydropyridine
TL;DR: 2,6-Dimethyl-3,5-dinitro-4-phenyl-1,4-dihydropyridine (CAS 126211-42-5) is a chemical compound with molecular formula C13H13N3O4 and molecular weight 275.0906 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,6-dimethyl-3,5-dinitro-4-phenyl-1,4-dihydropyridine
Also Known As: 2,6-dimethyl-3,5-dinitro-4-phenyl-1,4-dihydropyridine, 1,4-dihydro-2,6-dimethyl-3,5-dinitro-4-phenylpyridine
Technical Specifications
| Molecular Formula | C13H13N3O4 |
| Molecular Weight | 275.0906 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 275.0906 Da |
| Heavy Atoms | 20 |
| Complexity | 457.0 |
| SMILES | CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2)[N+](=O)[O-] |
| InChIKey | MESBOBSEQVNBQB-UHFFFAOYSA-N |
Chemical Property Profile of 2,6-Dimethyl-3,5-dinitro-4-phenyl-1,4-dihydropyridine
Property Insights of 2,6-Dimethyl-3,5-dinitro-4-phenyl-1,4-dihydropyridine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Dimethyl-3,5-dinitro-4-phenyl-1,4-dihydropyridine. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Dimethyl-3,5-dinitro-4-phenyl-1,4-dihydropyridine. Following Lipinski's Rule of Five, 2,6-Dimethyl-3,5-dinitro-4-phenyl-1,4-dihydropyridine has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,6-Dimethyl-3,5-dinitro-4-phenyl-1,4-dihydropyridine?
The CAS number of 2,6-Dimethyl-3,5-dinitro-4-phenyl-1,4-dihydropyridine is 126211-42-5.
What is the molecular formula of 2,6-Dimethyl-3,5-dinitro-4-phenyl-1,4-dihydropyridine?
The molecular formula of 2,6-Dimethyl-3,5-dinitro-4-phenyl-1,4-dihydropyridine is C13H13N3O4.
What is the molecular weight of 2,6-Dimethyl-3,5-dinitro-4-phenyl-1,4-dihydropyridine?
The molecular weight of 2,6-Dimethyl-3,5-dinitro-4-phenyl-1,4-dihydropyridine is 275.0906 g/mol.
Where can I buy 2,6-Dimethyl-3,5-dinitro-4-phenyl-1,4-dihydropyridine?
You can request a quote for 2,6-Dimethyl-3,5-dinitro-4-phenyl-1,4-dihydropyridine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,6-Dimethyl-3,5-dinitro-4-phenyl-1,4-dihydropyridine?
Yes, CoreyChem provides custom synthesis services for 2,6-Dimethyl-3,5-dinitro-4-phenyl-1,4-dihydropyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.