![3-[(4-Methyl-2-nitrophenoxy)methyl]benzoic acid structure](/static/products/832/832740-22-4.png)
3-[(4-Methyl-2-nitrophenoxy)methyl]benzoic acid
TL;DR: 3-[(4-Methyl-2-nitrophenoxy)methyl]benzoic acid (CAS 832740-22-4) 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.
3-[(4-methyl-2-nitrophenoxy)methyl]benzoic acid
Also Known As: 3-[(4-methyl-2-nitrophenoxy)methyl]benzoic acid, 3-[(4-methyl-2-nitrophenoxy)methyl]benzoicacid, 3-[(4-methyl-2-nitro-phenoxy)methyl]benzoic Acid, 3-((4-Methyl-2-nitrophenoxy)methyl)benzoic acid, 3-(4-Methyl-2-nitro-phenoxymethyl)-benzoic acid
| Molecular Formula | C15H13NO5 |
|---|---|
| Molecular Weight | 287.08 g/mol |
| LogP | 3.18042 |
| Topological Polar Surface Area | 89.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.07938 |
| Heavy Atoms | 21 |
| Complexity | 696.2134 |
Chemical Identifiers
| CAS Number | 832740-22-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OCC2=CC(=CC=C2)C(=O)O)[N+](=O)[O-] |
Product Overview
3-[(4-Methyl-2-nitrophenoxy)methyl]benzoic acid (CAS 832740-22-4), with molecular formula C15H13NO5 and molecular weight 287.08 g/mol. IUPAC: 3-[(4-methyl-2-nitrophenoxy)methyl]benzoic acid.
Chemical Property Profile of 3-[(4-Methyl-2-nitrophenoxy)methyl]benzoic acid
Property Insights of 3-[(4-Methyl-2-nitrophenoxy)methyl]benzoic acid
The XLogP value of 3.18042 indicates that 3-[(4-Methyl-2-nitrophenoxy)methyl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-Methyl-2-nitrophenoxy)methyl]benzoic acid. Following Lipinski's Rule of Five, 3-[(4-Methyl-2-nitrophenoxy)methyl]benzoic acid has 1 hydrogen bond donor(s) and 4 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-[(4-Methyl-2-nitrophenoxy)methyl]benzoic acid?
The CAS number of 3-[(4-Methyl-2-nitrophenoxy)methyl]benzoic acid is 832740-22-4.
What is the molecular formula of 3-[(4-Methyl-2-nitrophenoxy)methyl]benzoic acid?
The molecular formula of 3-[(4-Methyl-2-nitrophenoxy)methyl]benzoic acid is C15H13NO5.
What is the molecular weight of 3-[(4-Methyl-2-nitrophenoxy)methyl]benzoic acid?
The molecular weight of 3-[(4-Methyl-2-nitrophenoxy)methyl]benzoic acid is 287.08 g/mol.
Where can I buy 3-[(4-Methyl-2-nitrophenoxy)methyl]benzoic acid?
You can request a quote for 3-[(4-Methyl-2-nitrophenoxy)methyl]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-[(4-Methyl-2-nitrophenoxy)methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Methyl-2-nitrophenoxy)methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.