1-Nitro-2-(phenoxymethyl)benzene
TL;DR: 1-Nitro-2-(phenoxymethyl)benzene (CAS 99232-57-2) 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.
1-nitro-2-(phenoxymethyl)benzene
Also Known As: 1-nitro-2-(phenoxymethyl)benzene, 2-Nitrobenzylphenyl ether, (2-Nitrobenzyl)phenyl ether, J2.491.898J, AE-562/12222352
| Molecular Formula | C13H11NO3 |
|---|---|
| Molecular Weight | 229.07 g/mol |
| LogP | 3.1738 |
| Topological Polar Surface Area | 52.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.0739 |
| Heavy Atoms | 17 |
| Complexity | 511.08286 |
Chemical Identifiers
| CAS Number | 99232-57-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCC2=CC=CC=C2[N+](=O)[O-] |
Product Overview
1-Nitro-2-(phenoxymethyl)benzene (CAS 99232-57-2), with molecular formula C13H11NO3 and molecular weight 229.07 g/mol. IUPAC: 1-nitro-2-(phenoxymethyl)benzene.
Chemical Property Profile of 1-Nitro-2-(phenoxymethyl)benzene
Property Insights of 1-Nitro-2-(phenoxymethyl)benzene
The XLogP value of 3.1738 indicates that 1-Nitro-2-(phenoxymethyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.37 Ų, 1-Nitro-2-(phenoxymethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Nitro-2-(phenoxymethyl)benzene 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-Nitro-2-(phenoxymethyl)benzene?
The CAS number of 1-Nitro-2-(phenoxymethyl)benzene is 99232-57-2.
What is the molecular formula of 1-Nitro-2-(phenoxymethyl)benzene?
The molecular formula of 1-Nitro-2-(phenoxymethyl)benzene is C13H11NO3.
What is the molecular weight of 1-Nitro-2-(phenoxymethyl)benzene?
The molecular weight of 1-Nitro-2-(phenoxymethyl)benzene is 229.07 g/mol.
Where can I buy 1-Nitro-2-(phenoxymethyl)benzene?
You can request a quote for 1-Nitro-2-(phenoxymethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitro-2-(phenoxymethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitro-2-(phenoxymethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.