2-(2,4-Dinitrophenoxy)-3-methylbenzoic acid
TL;DR: 2-(2,4-Dinitrophenoxy)-3-methylbenzoic acid (CAS 7470-77-1) is a chemical compound with molecular formula C14H10N2O7 and molecular weight 318.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-dinitrophenoxy)-3-methylbenzoic acid
Also Known As: 2-(2,4-dinitrophenoxy)-3-methylbenzoic acid
| Molecular Formula | C14H10N2O7 |
|---|---|
| Molecular Weight | 318.05 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.0488 |
| Heavy Atoms | 23 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 7470-77-1 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C(=O)O)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | ZRCHSVCHZPSWRT-UHFFFAOYSA-N |
Product Overview
2-(2,4-Dinitrophenoxy)-3-methylbenzoic acid (CAS 7470-77-1), with molecular formula C14H10N2O7 and molecular weight 318.05 g/mol. IUPAC: 2-(2,4-dinitrophenoxy)-3-methylbenzoic acid.
Chemical Property Profile of 2-(2,4-Dinitrophenoxy)-3-methylbenzoic acid
Property Insights of 2-(2,4-Dinitrophenoxy)-3-methylbenzoic acid
The XLogP value of 3.0 indicates that 2-(2,4-Dinitrophenoxy)-3-methylbenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,4-Dinitrophenoxy)-3-methylbenzoic acid. Following Lipinski's Rule of Five, 2-(2,4-Dinitrophenoxy)-3-methylbenzoic acid has 1 hydrogen bond donor(s) and 7 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 2-(2,4-Dinitrophenoxy)-3-methylbenzoic acid?
The CAS number of 2-(2,4-Dinitrophenoxy)-3-methylbenzoic acid is 7470-77-1.
What is the molecular formula of 2-(2,4-Dinitrophenoxy)-3-methylbenzoic acid?
The molecular formula of 2-(2,4-Dinitrophenoxy)-3-methylbenzoic acid is C14H10N2O7.
What is the molecular weight of 2-(2,4-Dinitrophenoxy)-3-methylbenzoic acid?
The molecular weight of 2-(2,4-Dinitrophenoxy)-3-methylbenzoic acid is 318.05 g/mol.
Where can I buy 2-(2,4-Dinitrophenoxy)-3-methylbenzoic acid?
You can request a quote for 2-(2,4-Dinitrophenoxy)-3-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,4-Dinitrophenoxy)-3-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,4-Dinitrophenoxy)-3-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.