2-Nitro-5-phenoxytoluene
TL;DR: 2-Nitro-5-phenoxytoluene (CAS 112880-83-8) is a chemical compound with molecular formula C13H11NO3 and molecular weight 229.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1-nitro-4-phenoxybenzene
Also Known As: 2-methyl-1-nitro-4-phenoxybenzene, 2-nitro-5-phenoxytoluene, 5-Benzyloxy-2-nitrotoluene, Maybridge1_006855, p-nitrophenyl-m-tolylether
| Molecular Formula | C13H11NO3 |
|---|---|
| Molecular Weight | 229.07 g/mol |
| LogP | 3.69552 |
| Topological Polar Surface Area | 52.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.0739 |
| Heavy Atoms | 17 |
| Complexity | 537.6158 |
Chemical Identifiers
| CAS Number | 112880-83-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OC2=CC=CC=C2)[N+](=O)[O-] |
Product Overview
2-Nitro-5-phenoxytoluene (CAS 112880-83-8), with molecular formula C13H11NO3 and molecular weight 229.07 g/mol. IUPAC: 2-methyl-1-nitro-4-phenoxybenzene.
Chemical Property Profile of 2-Nitro-5-phenoxytoluene
Property Insights of 2-Nitro-5-phenoxytoluene
The XLogP value of 3.69552 indicates that 2-Nitro-5-phenoxytoluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.37 Ų, 2-Nitro-5-phenoxytoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Nitro-5-phenoxytoluene 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 2-Nitro-5-phenoxytoluene?
The CAS number of 2-Nitro-5-phenoxytoluene is 112880-83-8.
What is the molecular formula of 2-Nitro-5-phenoxytoluene?
The molecular formula of 2-Nitro-5-phenoxytoluene is C13H11NO3.
What is the molecular weight of 2-Nitro-5-phenoxytoluene?
The molecular weight of 2-Nitro-5-phenoxytoluene is 229.07 g/mol.
Where can I buy 2-Nitro-5-phenoxytoluene?
You can request a quote for 2-Nitro-5-phenoxytoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitro-5-phenoxytoluene?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitro-5-phenoxytoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.