1-(Benzyloxy)-2-methyl-3-nitrobenzene
TL;DR: 1-(Benzyloxy)-2-methyl-3-nitrobenzene (CAS 2096-33-5) is a chemical compound with molecular formula C14H13NO3 and molecular weight 243.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1-nitro-3-phenylmethoxybenzene
Also Known As: 1-Benzyloxy-2-methyl-3-nitrobenzene, 1-(Benzyloxy)-2-methyl-3-nitrobenzene, 2-benzyloxy-6-nitrotoluene, 6-Benzyloxy-2-nitrotoluene, Maybridge1_002032
| Molecular Formula | C14H13NO3 |
|---|---|
| Molecular Weight | 243.09 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.08954 |
| Heavy Atoms | 18 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 2096-33-5 |
|---|---|
| SMILES | CC1=C(C=CC=C1OCC2=CC=CC=C2)[N+](=O)[O-] |
| InChIKey | PBSZHNXXFIYDBU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Benzyloxy)-2-methyl-3-nitrobenzene (CAS 2096-33-5), with molecular formula C14H13NO3 and molecular weight 243.09 g/mol. IUPAC: 2-methyl-1-nitro-3-phenylmethoxybenzene.
Chemical Property Profile of 1-(Benzyloxy)-2-methyl-3-nitrobenzene
Property Insights of 1-(Benzyloxy)-2-methyl-3-nitrobenzene
The XLogP value of 4.2 indicates that 1-(Benzyloxy)-2-methyl-3-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 1-(Benzyloxy)-2-methyl-3-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Benzyloxy)-2-methyl-3-nitrobenzene 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
Frequently Asked Questions
What is the CAS number of 1-(Benzyloxy)-2-methyl-3-nitrobenzene?
The CAS number of 1-(Benzyloxy)-2-methyl-3-nitrobenzene is 2096-33-5.
What is the molecular formula of 1-(Benzyloxy)-2-methyl-3-nitrobenzene?
The molecular formula of 1-(Benzyloxy)-2-methyl-3-nitrobenzene is C14H13NO3.
What is the molecular weight of 1-(Benzyloxy)-2-methyl-3-nitrobenzene?
The molecular weight of 1-(Benzyloxy)-2-methyl-3-nitrobenzene is 243.09 g/mol.
Where can I buy 1-(Benzyloxy)-2-methyl-3-nitrobenzene?
You can request a quote for 1-(Benzyloxy)-2-methyl-3-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Benzyloxy)-2-methyl-3-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Benzyloxy)-2-methyl-3-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.