1,3-Dibenzyloxy-4,6-dinitrobenzene
TL;DR: 1,3-Dibenzyloxy-4,6-dinitrobenzene (CAS 134637-67-5) is a chemical compound with molecular formula C20H16N2O6 and molecular weight 380.10083 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,5-dinitro-2,4-bis(phenylmethoxy)benzene
Also Known As: 1,3-DIBENZYLOXY-4,6-DINITROBENZENE, 1,5-dinitro-2,4-bis(phenylmethoxy)benzene, Benzene,1,5-dinitro-2,4-bis(phenylmethoxy)-, I14-32812, 1,1'-[(4,6-Dinitro-1,3-phenylene)bis(oxymethylene)]dibenzene
Technical Specifications
| Molecular Formula | C20H16N2O6 |
| Molecular Weight | 380.10083 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 380.10083 Da |
| Heavy Atoms | 28 |
| Complexity | 464.0 |
| SMILES | C1=CC=C(C=C1)COC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])OCC3=CC=CC=C3 |
| InChIKey | FKDPHGNSRWHEKI-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Dibenzyloxy-4,6-dinitrobenzene
Property Insights of 1,3-Dibenzyloxy-4,6-dinitrobenzene
The XLogP value of 4.5 indicates that 1,3-Dibenzyloxy-4,6-dinitrobenzene 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 1,3-Dibenzyloxy-4,6-dinitrobenzene. Following Lipinski's Rule of Five, 1,3-Dibenzyloxy-4,6-dinitrobenzene 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 1,3-Dibenzyloxy-4,6-dinitrobenzene?
The CAS number of 1,3-Dibenzyloxy-4,6-dinitrobenzene is 134637-67-5.
What is the molecular formula of 1,3-Dibenzyloxy-4,6-dinitrobenzene?
The molecular formula of 1,3-Dibenzyloxy-4,6-dinitrobenzene is C20H16N2O6.
What is the molecular weight of 1,3-Dibenzyloxy-4,6-dinitrobenzene?
The molecular weight of 1,3-Dibenzyloxy-4,6-dinitrobenzene is 380.10083 g/mol.
Where can I buy 1,3-Dibenzyloxy-4,6-dinitrobenzene?
You can request a quote for 1,3-Dibenzyloxy-4,6-dinitrobenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Dibenzyloxy-4,6-dinitrobenzene?
Yes, CoreyChem provides custom synthesis services for 1,3-Dibenzyloxy-4,6-dinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.