4-Benzyloxy-2-nitrotoluene
TL;DR: 4-Benzyloxy-2-nitrotoluene (CAS 35266-64-9) 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.
1-methyl-2-nitro-4-phenylmethoxybenzene
Also Known As: 4-Benzyloxy-2-nitrotoluene, 4-(benzyloxy)-1-methyl-2-nitrobenzene, 1-methyl-2-nitro-4-phenylmethoxybenzene, 4-Benzyloxy-2-nitro toluene, benzyl 3-Nitro-p-tolyl Ether
| Molecular Formula | C14H13NO3 |
|---|---|
| Molecular Weight | 243.09 g/mol |
| LogP | 3.48222 |
| Topological Polar Surface Area | 52.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 243.08954 |
| Heavy Atoms | 18 |
| Complexity | 552.2205 |
Chemical Identifiers
| CAS Number | 35266-64-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)OCC2=CC=CC=C2)[N+](=O)[O-] |
Product Overview
4-Benzyloxy-2-nitrotoluene (CAS 35266-64-9), with molecular formula C14H13NO3 and molecular weight 243.09 g/mol. IUPAC: 1-methyl-2-nitro-4-phenylmethoxybenzene.
Chemical Property Profile of 4-Benzyloxy-2-nitrotoluene
Property Insights of 4-Benzyloxy-2-nitrotoluene
The XLogP value of 3.48222 indicates that 4-Benzyloxy-2-nitrotoluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.37 Ų, 4-Benzyloxy-2-nitrotoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-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
Frequently Asked Questions
What is the CAS number of 4-Benzyloxy-2-nitrotoluene?
The CAS number of 4-Benzyloxy-2-nitrotoluene is 35266-64-9.
What is the molecular formula of 4-Benzyloxy-2-nitrotoluene?
The molecular formula of 4-Benzyloxy-2-nitrotoluene is C14H13NO3.
What is the molecular weight of 4-Benzyloxy-2-nitrotoluene?
The molecular weight of 4-Benzyloxy-2-nitrotoluene is 243.09 g/mol.
Where can I buy 4-Benzyloxy-2-nitrotoluene?
You can request a quote for 4-Benzyloxy-2-nitrotoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzyloxy-2-nitrotoluene?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzyloxy-2-nitrotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.