5-(Benzyloxy)-2-nitrotoluene
TL;DR: 5-(Benzyloxy)-2-nitrotoluene (CAS 179246-25-4) is a chemical compound with molecular formula C14H13NO3 and molecular weight 243.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-4-nitro-1-phenylmethoxybenzene
Also Known As: 1-(benzyloxy)-2-methyl-4-nitrobenzene, 5-Benzoxy-2-nitrotoluene, 5-(Benzyloxy)-2-nitrotoluene, 5-Benzyloxy-2-nitrotoluene, 4-(Benzyloxy)-2-methyl-1-nitrobenzene
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H13NO3 |
| Molecular Weight | 243.08954 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.08954 Da |
| Heavy Atoms | 18 |
| Complexity | 271.0 |
| SMILES | CC1=C(C=CC(=C1)[N+](=O)[O-])OCC2=CC=CC=C2 |
| InChIKey | ZPCZNIYGVQMCOV-UHFFFAOYSA-N |
Chemical Property Profile of 5-(Benzyloxy)-2-nitrotoluene
Property Insights of 5-(Benzyloxy)-2-nitrotoluene
The XLogP value of 3.6 indicates that 5-(Benzyloxy)-2-nitrotoluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 5-(Benzyloxy)-2-nitrotoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Benzyloxy)-2-nitrotoluene has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-(Benzyloxy)-2-nitrotoluene?
The CAS number of 5-(Benzyloxy)-2-nitrotoluene is 179246-25-4.
What is the molecular formula of 5-(Benzyloxy)-2-nitrotoluene?
The molecular formula of 5-(Benzyloxy)-2-nitrotoluene is C14H13NO3.
What is the molecular weight of 5-(Benzyloxy)-2-nitrotoluene?
The molecular weight of 5-(Benzyloxy)-2-nitrotoluene is 243.08954 g/mol.
Where can I buy 5-(Benzyloxy)-2-nitrotoluene?
You can request a quote for 5-(Benzyloxy)-2-nitrotoluene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(Benzyloxy)-2-nitrotoluene?
Yes, CoreyChem provides custom synthesis services for 5-(Benzyloxy)-2-nitrotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.