![3-Methoxy-4-[(4-nitrobenzyl)oxy]benzoic acid structure](/static/products/113/113457-34-4.png)
3-Methoxy-4-[(4-nitrobenzyl)oxy]benzoic acid
TL;DR: 3-Methoxy-4-[(4-nitrobenzyl)oxy]benzoic acid (CAS 113457-34-4) is a chemical compound with molecular formula C15H13NO6 and molecular weight 303.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-4-[(4-nitrophenyl)methoxy]benzoic acid
Also Known As: 3-methoxy-4-[(4-nitrobenzyl)oxy]benzoic acid, 3-methoxy-4-[(4-nitrophenyl)methoxy]benzoic Acid
| Molecular Formula | C15H13NO6 |
|---|---|
| Molecular Weight | 303.07 g/mol |
| LogP | 2.8806 |
| Topological Polar Surface Area | 98.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 303.07428 |
| Heavy Atoms | 22 |
| Complexity | 695.6789 |
Chemical Identifiers
| CAS Number | 113457-34-4 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C(=O)O)OCC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
3-Methoxy-4-[(4-nitrobenzyl)oxy]benzoic acid (CAS 113457-34-4), with molecular formula C15H13NO6 and molecular weight 303.07 g/mol. IUPAC: 3-methoxy-4-[(4-nitrophenyl)methoxy]benzoic acid.
Chemical Property Profile of 3-Methoxy-4-[(4-nitrobenzyl)oxy]benzoic acid
Property Insights of 3-Methoxy-4-[(4-nitrobenzyl)oxy]benzoic acid
The XLogP value of 2.8806 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxy-4-[(4-nitrobenzyl)oxy]benzoic acid. The TPSA of 98.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methoxy-4-[(4-nitrobenzyl)oxy]benzoic acid. Following Lipinski's Rule of Five, 3-Methoxy-4-[(4-nitrobenzyl)oxy]benzoic acid has 1 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 3-Methoxy-4-[(4-nitrobenzyl)oxy]benzoic acid?
The CAS number of 3-Methoxy-4-[(4-nitrobenzyl)oxy]benzoic acid is 113457-34-4.
What is the molecular formula of 3-Methoxy-4-[(4-nitrobenzyl)oxy]benzoic acid?
The molecular formula of 3-Methoxy-4-[(4-nitrobenzyl)oxy]benzoic acid is C15H13NO6.
What is the molecular weight of 3-Methoxy-4-[(4-nitrobenzyl)oxy]benzoic acid?
The molecular weight of 3-Methoxy-4-[(4-nitrobenzyl)oxy]benzoic acid is 303.07 g/mol.
Where can I buy 3-Methoxy-4-[(4-nitrobenzyl)oxy]benzoic acid?
You can request a quote for 3-Methoxy-4-[(4-nitrobenzyl)oxy]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxy-4-[(4-nitrobenzyl)oxy]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxy-4-[(4-nitrobenzyl)oxy]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.