2-Nitrophenyl P-tolyl ether
TL;DR: 2-Nitrophenyl P-tolyl ether (CAS 3402-70-8) 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.
1-(4-methylphenoxy)-2-nitrobenzene
Also Known As: 1-Nitro-2-(p-tolyloxy)benzene, 1-(4-methylphenoxy)-2-nitrobenzene, 2-NITROPHENYL P-TOLYL ETHER, Benzene, 1-(4-methylphenoxy)-2-nitro-, 4-Methylphenyl 2-nitrophenyl ether
| 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 | 534.6158 |
Chemical Identifiers
| CAS Number | 3402-70-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OC2=CC=CC=C2[N+](=O)[O-] |
Product Overview
2-Nitrophenyl P-tolyl ether (CAS 3402-70-8), with molecular formula C13H11NO3 and molecular weight 229.07 g/mol. IUPAC: 1-(4-methylphenoxy)-2-nitrobenzene.
Chemical Property Profile of 2-Nitrophenyl P-tolyl ether
Property Insights of 2-Nitrophenyl P-tolyl ether
The XLogP value of 3.69552 indicates that 2-Nitrophenyl P-tolyl ether 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-Nitrophenyl P-tolyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Nitrophenyl P-tolyl ether 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-Nitrophenyl P-tolyl ether?
The CAS number of 2-Nitrophenyl P-tolyl ether is 3402-70-8.
What is the molecular formula of 2-Nitrophenyl P-tolyl ether?
The molecular formula of 2-Nitrophenyl P-tolyl ether is C13H11NO3.
What is the molecular weight of 2-Nitrophenyl P-tolyl ether?
The molecular weight of 2-Nitrophenyl P-tolyl ether is 229.07 g/mol.
Where can I buy 2-Nitrophenyl P-tolyl ether?
You can request a quote for 2-Nitrophenyl P-tolyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitrophenyl P-tolyl ether?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitrophenyl P-tolyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.