2,2-Dimethyl-5-(4-nitrobenzyl)-1,3-dioxane-4,6-dione
TL;DR: 2,2-Dimethyl-5-(4-nitrobenzyl)-1,3-dioxane-4,6-dione (CAS 154317-89-2) is a chemical compound with molecular formula C13H13NO6 and molecular weight 279.07428 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-dimethyl-5-[(4-nitrophenyl)methyl]-1,3-dioxane-4,6-dione
Also Known As: 2,2-dimethyl-5-(4-nitrobenzyl)-1,3-dioxane-4,6-dione, 2,2-dimethyl-5-[(4-nitrophenyl)methyl]-1,3-dioxane-4,6-dione, J2.267.713F, 2,2-Dimethyl-5-(4-nitrobenzyl)-1,3-dioxane-4,6-dione,97%
Technical Specifications
| Molecular Formula | C13H13NO6 |
| Molecular Weight | 279.07428 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 98.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.07428 Da |
| Heavy Atoms | 20 |
| Complexity | 399.0 |
| SMILES | CC1(OC(=O)C(C(=O)O1)CC2=CC=C(C=C2)[N+](=O)[O-])C |
| InChIKey | FZKSUOXPWYRNEF-UHFFFAOYSA-N |
Chemical Property Profile of 2,2-Dimethyl-5-(4-nitrobenzyl)-1,3-dioxane-4,6-dione
Property Insights of 2,2-Dimethyl-5-(4-nitrobenzyl)-1,3-dioxane-4,6-dione
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyl-5-(4-nitrobenzyl)-1,3-dioxane-4,6-dione. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Dimethyl-5-(4-nitrobenzyl)-1,3-dioxane-4,6-dione. Following Lipinski's Rule of Five, 2,2-Dimethyl-5-(4-nitrobenzyl)-1,3-dioxane-4,6-dione has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,2-Dimethyl-5-(4-nitrobenzyl)-1,3-dioxane-4,6-dione?
The CAS number of 2,2-Dimethyl-5-(4-nitrobenzyl)-1,3-dioxane-4,6-dione is 154317-89-2.
What is the molecular formula of 2,2-Dimethyl-5-(4-nitrobenzyl)-1,3-dioxane-4,6-dione?
The molecular formula of 2,2-Dimethyl-5-(4-nitrobenzyl)-1,3-dioxane-4,6-dione is C13H13NO6.
What is the molecular weight of 2,2-Dimethyl-5-(4-nitrobenzyl)-1,3-dioxane-4,6-dione?
The molecular weight of 2,2-Dimethyl-5-(4-nitrobenzyl)-1,3-dioxane-4,6-dione is 279.07428 g/mol.
Where can I buy 2,2-Dimethyl-5-(4-nitrobenzyl)-1,3-dioxane-4,6-dione?
You can request a quote for 2,2-Dimethyl-5-(4-nitrobenzyl)-1,3-dioxane-4,6-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,2-Dimethyl-5-(4-nitrobenzyl)-1,3-dioxane-4,6-dione?
Yes, CoreyChem provides custom synthesis services for 2,2-Dimethyl-5-(4-nitrobenzyl)-1,3-dioxane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.