Methyl 5-(2-chloro-4-fluorophenoxy)-2-nitrobenzoate
TL;DR: Methyl 5-(2-chloro-4-fluorophenoxy)-2-nitrobenzoate (CAS 51282-69-0) is a chemical compound with molecular formula C14H9ClFNO5 and molecular weight 325.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(2-chloro-4-fluorophenoxy)-2-nitrobenzoate
Also Known As: methyl 5-(2-chloro-4-fluorophenoxy)-2-nitrobenzoate, MC 6063, J1.619.720C, methyl 5-(2-chloro-4-fluoro-phenoxy)-2-nitro-benzoate, Benzoic acid, 5-(2-chloro-4-fluorophenoxy)-2-nitro-, methyl ester
| Molecular Formula | C14H9ClFNO5 |
|---|---|
| Molecular Weight | 325.02 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.01532 |
| Heavy Atoms | 22 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 51282-69-0 |
|---|---|
| SMILES | COC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)F)Cl)[N+](=O)[O-] |
| InChIKey | ROCVQRONLLDHFQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 5-(2-chloro-4-fluorophenoxy)-2-nitrobenzoate (CAS 51282-69-0), with molecular formula C14H9ClFNO5 and molecular weight 325.02 g/mol. IUPAC: methyl 5-(2-chloro-4-fluorophenoxy)-2-nitrobenzoate.
Chemical Property Profile of Methyl 5-(2-chloro-4-fluorophenoxy)-2-nitrobenzoate
Property Insights of Methyl 5-(2-chloro-4-fluorophenoxy)-2-nitrobenzoate
The XLogP value of 4.0 indicates that Methyl 5-(2-chloro-4-fluorophenoxy)-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 Methyl 5-(2-chloro-4-fluorophenoxy)-2-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 5-(2-chloro-4-fluorophenoxy)-2-nitrobenzoate has 0 hydrogen bond donor(s) and 6 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 Methyl 5-(2-chloro-4-fluorophenoxy)-2-nitrobenzoate?
The CAS number of Methyl 5-(2-chloro-4-fluorophenoxy)-2-nitrobenzoate is 51282-69-0.
What is the molecular formula of Methyl 5-(2-chloro-4-fluorophenoxy)-2-nitrobenzoate?
The molecular formula of Methyl 5-(2-chloro-4-fluorophenoxy)-2-nitrobenzoate is C14H9ClFNO5.
What is the molecular weight of Methyl 5-(2-chloro-4-fluorophenoxy)-2-nitrobenzoate?
The molecular weight of Methyl 5-(2-chloro-4-fluorophenoxy)-2-nitrobenzoate is 325.02 g/mol.
Where can I buy Methyl 5-(2-chloro-4-fluorophenoxy)-2-nitrobenzoate?
You can request a quote for Methyl 5-(2-chloro-4-fluorophenoxy)-2-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-(2-chloro-4-fluorophenoxy)-2-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-(2-chloro-4-fluorophenoxy)-2-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.