对硝基苯基邻甲苯基醚
TL;DR: 对硝基苯基邻甲苯基醚 (CAS 2444-29-3) 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.
对硝基苯基邻甲苯基醚
1-methyl-2-(4-nitrophenoxy)benzene
Also Known As: 1-methyl-2-(4-nitrophenoxy)benzene, P-NITROPHENYL O-TOLYL ETHER, Ether, p-nitrophenyl o-tolyl, Ether, pnitrophenyl otolyl, 2-Methylphenyl 4-nitrophenyl ether
| Molecular Formula | C13H11NO3 |
|---|---|
| Molecular Weight | 229.07 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.0739 |
| Heavy Atoms | 17 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 2444-29-3 |
|---|---|
| SMILES | CC1=CC=CC=C1OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | CUOZZRROMKDJFD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
对硝基苯基邻甲苯基醚 (CAS 2444-29-3), with molecular formula C13H11NO3 and molecular weight 229.07 g/mol. IUPAC: 1-methyl-2-(4-nitrophenoxy)benzene.
Chemical Property Profile of 对硝基苯基邻甲苯基醚
Property Insights of 对硝基苯基邻甲苯基醚
The XLogP value of 4.1 indicates that 对硝基苯基邻甲苯基醚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 对硝基苯基邻甲苯基醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 对硝基苯基邻甲苯基醚 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 对硝基苯基邻甲苯基醚?
The CAS number of 对硝基苯基邻甲苯基醚 is 2444-29-3.
What is the molecular formula of 对硝基苯基邻甲苯基醚?
The molecular formula of 对硝基苯基邻甲苯基醚 is C13H11NO3.
What is the molecular weight of 对硝基苯基邻甲苯基醚?
The molecular weight of 对硝基苯基邻甲苯基醚 is 229.07 g/mol.
Where can I buy 对硝基苯基邻甲苯基醚?
You can request a quote for 对硝基苯基邻甲苯基醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 对硝基苯基邻甲苯基醚?
Yes, KEHONG BIO provides custom synthesis services for 对硝基苯基邻甲苯基醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.