Benzene, 1-methyl-3-(4-nitrophenyl)-
TL;DR: Benzene, 1-methyl-3-(4-nitrophenyl)- (CAS 2303-25-5) 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-methyl-3-(4-nitrophenoxy)benzene
Also Known As: 1-methyl-3-(4-nitrophenoxy)benzene, Attackweed, 1-(3-methylphenoxy)-4-nitrobenzene, TOPE, 1-Methyl-3-(4-nitrophenyl)benzene
| Molecular Formula | C13H11NO3 |
|---|---|
| Molecular Weight | 229.07 g/mol |
| LogP | 3.9 |
| 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 | 2303-25-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | DLKBRTKDSDXWNA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-methyl-3-(4-nitrophenyl)- (CAS 2303-25-5), with molecular formula C13H11NO3 and molecular weight 229.07 g/mol. IUPAC: 1-methyl-3-(4-nitrophenoxy)benzene.
Chemical Property Profile of Benzene, 1-methyl-3-(4-nitrophenyl)-
Property Insights of Benzene, 1-methyl-3-(4-nitrophenyl)-
The XLogP value of 3.9 indicates that Benzene, 1-methyl-3-(4-nitrophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, Benzene, 1-methyl-3-(4-nitrophenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-methyl-3-(4-nitrophenyl)- 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 Benzene, 1-methyl-3-(4-nitrophenyl)-?
The CAS number of Benzene, 1-methyl-3-(4-nitrophenyl)- is 2303-25-5.
What is the molecular formula of Benzene, 1-methyl-3-(4-nitrophenyl)-?
The molecular formula of Benzene, 1-methyl-3-(4-nitrophenyl)- is C13H11NO3.
What is the molecular weight of Benzene, 1-methyl-3-(4-nitrophenyl)-?
The molecular weight of Benzene, 1-methyl-3-(4-nitrophenyl)- is 229.07 g/mol.
Where can I buy Benzene, 1-methyl-3-(4-nitrophenyl)-?
You can request a quote for Benzene, 1-methyl-3-(4-nitrophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-methyl-3-(4-nitrophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-methyl-3-(4-nitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.