4-Benzyloxy-5-methoxy-2-nitrotoluene
TL;DR: 4-Benzyloxy-5-methoxy-2-nitrotoluene (CAS 121086-26-8) is a chemical compound with molecular formula C15H15NO4 and molecular weight 273.1001 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methoxy-5-methyl-4-nitro-2-phenylmethoxybenzene
Also Known As: 4-BENZYLOXY-5-METHOXY-2-NITROTOLUENE, 1-methoxy-5-methyl-4-nitro-2-phenylmethoxybenzene, 2-Nitro-5-methoxy-4-benzyloxy-toluol, 1-(Benzyloxy)-2-methoxy-4-methyl-5-nitrobenzene, Benzene,1-methoxy-5-methyl-4-nitro-2-(phenylmethoxy)-
Technical Specifications
| Molecular Formula | C15H15NO4 |
| Molecular Weight | 273.1001 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.1001 Da |
| Heavy Atoms | 20 |
| Complexity | 311.0 |
| SMILES | CC1=CC(=C(C=C1[N+](=O)[O-])OCC2=CC=CC=C2)OC |
| InChIKey | LBLJFBODCWOVTJ-UHFFFAOYSA-N |
Chemical Property Profile of 4-Benzyloxy-5-methoxy-2-nitrotoluene
Property Insights of 4-Benzyloxy-5-methoxy-2-nitrotoluene
The XLogP value of 3.6 indicates that 4-Benzyloxy-5-methoxy-2-nitrotoluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Benzyloxy-5-methoxy-2-nitrotoluene. Following Lipinski's Rule of Five, 4-Benzyloxy-5-methoxy-2-nitrotoluene has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Benzyloxy-5-methoxy-2-nitrotoluene?
The CAS number of 4-Benzyloxy-5-methoxy-2-nitrotoluene is 121086-26-8.
What is the molecular formula of 4-Benzyloxy-5-methoxy-2-nitrotoluene?
The molecular formula of 4-Benzyloxy-5-methoxy-2-nitrotoluene is C15H15NO4.
What is the molecular weight of 4-Benzyloxy-5-methoxy-2-nitrotoluene?
The molecular weight of 4-Benzyloxy-5-methoxy-2-nitrotoluene is 273.1001 g/mol.
Where can I buy 4-Benzyloxy-5-methoxy-2-nitrotoluene?
You can request a quote for 4-Benzyloxy-5-methoxy-2-nitrotoluene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Benzyloxy-5-methoxy-2-nitrotoluene?
Yes, CoreyChem provides custom synthesis services for 4-Benzyloxy-5-methoxy-2-nitrotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.