Benzene, 2,4-dichloro-1-(3-methyl-4-nitrophenoxy)-
TL;DR: Benzene, 2,4-dichloro-1-(3-methyl-4-nitrophenoxy)- (CAS 42488-57-3) is a chemical compound with molecular formula C13H9Cl2NO3 and molecular weight 297.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,4-dichlorophenoxy)-2-methyl-1-nitrobenzene
Also Known As: 4-(2,4-dichlorophenoxy)-2-methyl-1-nitrobenzene, Benzene, 2,4-dichloro-1-(3-methyl-4-nitrophenoxy)-, 2,4-dichloro-1-(3-methyl-4-nitrophenoxy)benzene, 2,4-Dichlor-3'-methyl-4'-nitro-diphenylether, 2,4-Dichlorophenyl 3-methyl-4-nitrophenyl ether
| Molecular Formula | C13H9Cl2NO3 |
|---|---|
| Molecular Weight | 297.00 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.99594 |
| Heavy Atoms | 19 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 42488-57-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-] |
| InChIKey | GYEPXYRUTLZDIO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 2,4-dichloro-1-(3-methyl-4-nitrophenoxy)- (CAS 42488-57-3), with molecular formula C13H9Cl2NO3 and molecular weight 297.00 g/mol. IUPAC: 4-(2,4-dichlorophenoxy)-2-methyl-1-nitrobenzene.
Chemical Property Profile of Benzene, 2,4-dichloro-1-(3-methyl-4-nitrophenoxy)-
Property Insights of Benzene, 2,4-dichloro-1-(3-methyl-4-nitrophenoxy)-
The XLogP value of 4.9 indicates that Benzene, 2,4-dichloro-1-(3-methyl-4-nitrophenoxy)- 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, 2,4-dichloro-1-(3-methyl-4-nitrophenoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 2,4-dichloro-1-(3-methyl-4-nitrophenoxy)- 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, 2,4-dichloro-1-(3-methyl-4-nitrophenoxy)-?
The CAS number of Benzene, 2,4-dichloro-1-(3-methyl-4-nitrophenoxy)- is 42488-57-3.
What is the molecular formula of Benzene, 2,4-dichloro-1-(3-methyl-4-nitrophenoxy)-?
The molecular formula of Benzene, 2,4-dichloro-1-(3-methyl-4-nitrophenoxy)- is C13H9Cl2NO3.
What is the molecular weight of Benzene, 2,4-dichloro-1-(3-methyl-4-nitrophenoxy)-?
The molecular weight of Benzene, 2,4-dichloro-1-(3-methyl-4-nitrophenoxy)- is 297.00 g/mol.
Where can I buy Benzene, 2,4-dichloro-1-(3-methyl-4-nitrophenoxy)-?
You can request a quote for Benzene, 2,4-dichloro-1-(3-methyl-4-nitrophenoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 2,4-dichloro-1-(3-methyl-4-nitrophenoxy)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 2,4-dichloro-1-(3-methyl-4-nitrophenoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.