Ethyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate
TL;DR: Ethyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate (CAS 51282-65-6) is a chemical compound with molecular formula C15H11Cl2NO5 and molecular weight 355.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate
Also Known As: ethyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate, J2.788.496B, ethyl 5-(2,4-dichlorophenoxy)-2-nitro-benzoate, 5-(2,4-Dichlorophenoxy)-2-nitrobenzoic acid ethyl ester, Benzoic acid, 5-(2,4-dichlorophenoxy)-2-nitro-, ethyl ester
| Molecular Formula | C15H11Cl2NO5 |
|---|---|
| Molecular Weight | 355.00 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 355.00143 |
| Heavy Atoms | 23 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 51282-65-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-] |
| InChIKey | KIDNVGVZYUJAHZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate (CAS 51282-65-6), with molecular formula C15H11Cl2NO5 and molecular weight 355.00 g/mol. IUPAC: ethyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate.
Chemical Property Profile of Ethyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate
Property Insights of Ethyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate
The XLogP value of 4.8 indicates that Ethyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate. Following Lipinski's Rule of Five, Ethyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate has 0 hydrogen bond donor(s) and 5 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 Ethyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate?
The CAS number of Ethyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate is 51282-65-6.
What is the molecular formula of Ethyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate?
The molecular formula of Ethyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate is C15H11Cl2NO5.
What is the molecular weight of Ethyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate?
The molecular weight of Ethyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate is 355.00 g/mol.
Where can I buy Ethyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate?
You can request a quote for Ethyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.