Methyl 4-(3-methylphenoxy)-3-nitrobenzoate
TL;DR: Methyl 4-(3-methylphenoxy)-3-nitrobenzoate (CAS 339104-91-5) is a chemical compound with molecular formula C15H13NO5 and molecular weight 287.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(3-methylphenoxy)-3-nitrobenzoate
Also Known As: methyl 4-(3-methylphenoxy)-3-nitrobenzoate, methyl 4-(3-methylphenoxy)-3-nitrobenzenecarboxylate, methyl4-(3-methylphenoxy)-3-nitrobenzoate, methyl 4-(3-methylphenoxy)-3-nitro-benzoate, 8N-025
| Molecular Formula | C15H13NO5 |
|---|---|
| Molecular Weight | 287.08 g/mol |
| LogP | 3.48212 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.07938 |
| Heavy Atoms | 21 |
| Complexity | 696.2134 |
Chemical Identifiers
| CAS Number | 339104-91-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-] |
Product Overview
Methyl 4-(3-methylphenoxy)-3-nitrobenzoate (CAS 339104-91-5), with molecular formula C15H13NO5 and molecular weight 287.08 g/mol. IUPAC: methyl 4-(3-methylphenoxy)-3-nitrobenzoate.
Chemical Property Profile of Methyl 4-(3-methylphenoxy)-3-nitrobenzoate
Property Insights of Methyl 4-(3-methylphenoxy)-3-nitrobenzoate
The XLogP value of 3.48212 indicates that Methyl 4-(3-methylphenoxy)-3-nitrobenzoate 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 4-(3-methylphenoxy)-3-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 4-(3-methylphenoxy)-3-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 Methyl 4-(3-methylphenoxy)-3-nitrobenzoate?
The CAS number of Methyl 4-(3-methylphenoxy)-3-nitrobenzoate is 339104-91-5.
What is the molecular formula of Methyl 4-(3-methylphenoxy)-3-nitrobenzoate?
The molecular formula of Methyl 4-(3-methylphenoxy)-3-nitrobenzoate is C15H13NO5.
What is the molecular weight of Methyl 4-(3-methylphenoxy)-3-nitrobenzoate?
The molecular weight of Methyl 4-(3-methylphenoxy)-3-nitrobenzoate is 287.08 g/mol.
Where can I buy Methyl 4-(3-methylphenoxy)-3-nitrobenzoate?
You can request a quote for Methyl 4-(3-methylphenoxy)-3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(3-methylphenoxy)-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(3-methylphenoxy)-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.