Methyl 3-(4-nitrophenoxy)benzoate
TL;DR: Methyl 3-(4-nitrophenoxy)benzoate (CAS 212189-48-5) is a chemical compound with molecular formula C14H11NO5 and molecular weight 273.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-nitrophenoxy)benzoate
Also Known As: methyl 3-(4-nitrophenoxy)benzoate, methyl3-(4-nitrophenoxy)benzoate, BAS 00669670, 3-(4-Nitro-phenoxy)-benzoic acid methyl ester
| Molecular Formula | C14H11NO5 |
|---|---|
| Molecular Weight | 273.06 g/mol |
| LogP | 3.1737 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.06372 |
| Heavy Atoms | 20 |
| Complexity | 636.26746 |
Chemical Identifiers
| CAS Number | 212189-48-5 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
Methyl 3-(4-nitrophenoxy)benzoate (CAS 212189-48-5), with molecular formula C14H11NO5 and molecular weight 273.06 g/mol. IUPAC: methyl 3-(4-nitrophenoxy)benzoate.
Chemical Property Profile of Methyl 3-(4-nitrophenoxy)benzoate
Property Insights of Methyl 3-(4-nitrophenoxy)benzoate
The XLogP value of 3.1737 indicates that Methyl 3-(4-nitrophenoxy)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(4-nitrophenoxy)benzoate. Following Lipinski's Rule of Five, Methyl 3-(4-nitrophenoxy)benzoate 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 Methyl 3-(4-nitrophenoxy)benzoate?
The CAS number of Methyl 3-(4-nitrophenoxy)benzoate is 212189-48-5.
What is the molecular formula of Methyl 3-(4-nitrophenoxy)benzoate?
The molecular formula of Methyl 3-(4-nitrophenoxy)benzoate is C14H11NO5.
What is the molecular weight of Methyl 3-(4-nitrophenoxy)benzoate?
The molecular weight of Methyl 3-(4-nitrophenoxy)benzoate is 273.06 g/mol.
Where can I buy Methyl 3-(4-nitrophenoxy)benzoate?
You can request a quote for Methyl 3-(4-nitrophenoxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(4-nitrophenoxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(4-nitrophenoxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.