(2-Methyl-4,6-dinitrophenyl) benzoate
TL;DR: (2-Methyl-4,6-dinitrophenyl) benzoate (CAS 4102-92-5) is a chemical compound with molecular formula C14H10N2O6 and molecular weight 302.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-4,6-dinitrophenyl) benzoate
Also Known As: (2-methyl-4,6-dinitrophenyl) benzoate, O-Cresol, 4,6-dinitro-,benzoate, 2-Methyl-4,6-dinitrophenyl benzoate, (2-methyl-4,6-dinitro-phenyl) benzoate
| Molecular Formula | C14H10N2O6 |
|---|---|
| Molecular Weight | 302.05 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.0539 |
| Heavy Atoms | 22 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 4102-92-5 |
|---|---|
| SMILES | CC1=CC(=CC(=C1OC(=O)C2=CC=CC=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | YUDBQBRGLHGEOM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2-Methyl-4,6-dinitrophenyl) benzoate (CAS 4102-92-5), with molecular formula C14H10N2O6 and molecular weight 302.05 g/mol. IUPAC: (2-methyl-4,6-dinitrophenyl) benzoate.
Chemical Property Profile of (2-Methyl-4,6-dinitrophenyl) benzoate
Property Insights of (2-Methyl-4,6-dinitrophenyl) benzoate
The XLogP value of 3.4 indicates that (2-Methyl-4,6-dinitrophenyl) benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Methyl-4,6-dinitrophenyl) benzoate. Following Lipinski's Rule of Five, (2-Methyl-4,6-dinitrophenyl) benzoate has 0 hydrogen bond donor(s) and 6 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-Methyl-4,6-dinitrophenyl) benzoate?
The CAS number of (2-Methyl-4,6-dinitrophenyl) benzoate is 4102-92-5.
What is the molecular formula of (2-Methyl-4,6-dinitrophenyl) benzoate?
The molecular formula of (2-Methyl-4,6-dinitrophenyl) benzoate is C14H10N2O6.
What is the molecular weight of (2-Methyl-4,6-dinitrophenyl) benzoate?
The molecular weight of (2-Methyl-4,6-dinitrophenyl) benzoate is 302.05 g/mol.
Where can I buy (2-Methyl-4,6-dinitrophenyl) benzoate?
You can request a quote for (2-Methyl-4,6-dinitrophenyl) benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Methyl-4,6-dinitrophenyl) benzoate?
Yes, KEHONG BIO provides custom synthesis services for (2-Methyl-4,6-dinitrophenyl) benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.