(2-Tert-butyl-3-methyl-4,6-dinitrophenyl) acetate
TL;DR: (2-Tert-butyl-3-methyl-4,6-dinitrophenyl) acetate (CAS 2487-01-6) is a chemical compound with molecular formula C13H16N2O6 and molecular weight 296.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-tert-butyl-3-methyl-4,6-dinitrophenyl) acetate
Also Known As: Medinoterb acetate, Medinoterb acetate [ISO], MC 1488, (2-tert-butyl-3-methyl-4,6-dinitrophenyl) acetate, P 1488
| Molecular Formula | C13H16N2O6 |
|---|---|
| Molecular Weight | 296.10 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 | 296.10083 |
| Heavy Atoms | 21 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 2487-01-6 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OC(=O)C)C(C)(C)C |
| InChIKey | GZJNBGYLANALSV-UHFFFAOYSA-N |
Product Overview
(2-Tert-butyl-3-methyl-4,6-dinitrophenyl) acetate (CAS 2487-01-6), with molecular formula C13H16N2O6 and molecular weight 296.10 g/mol. IUPAC: (2-tert-butyl-3-methyl-4,6-dinitrophenyl) acetate.
Chemical Property Profile of (2-Tert-butyl-3-methyl-4,6-dinitrophenyl) acetate
Property Insights of (2-Tert-butyl-3-methyl-4,6-dinitrophenyl) acetate
The XLogP value of 3.4 indicates that (2-Tert-butyl-3-methyl-4,6-dinitrophenyl) acetate 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-Tert-butyl-3-methyl-4,6-dinitrophenyl) acetate. Following Lipinski's Rule of Five, (2-Tert-butyl-3-methyl-4,6-dinitrophenyl) acetate 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-Tert-butyl-3-methyl-4,6-dinitrophenyl) acetate?
The CAS number of (2-Tert-butyl-3-methyl-4,6-dinitrophenyl) acetate is 2487-01-6.
What is the molecular formula of (2-Tert-butyl-3-methyl-4,6-dinitrophenyl) acetate?
The molecular formula of (2-Tert-butyl-3-methyl-4,6-dinitrophenyl) acetate is C13H16N2O6.
What is the molecular weight of (2-Tert-butyl-3-methyl-4,6-dinitrophenyl) acetate?
The molecular weight of (2-Tert-butyl-3-methyl-4,6-dinitrophenyl) acetate is 296.10 g/mol.
Where can I buy (2-Tert-butyl-3-methyl-4,6-dinitrophenyl) acetate?
You can request a quote for (2-Tert-butyl-3-methyl-4,6-dinitrophenyl) acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Tert-butyl-3-methyl-4,6-dinitrophenyl) acetate?
Yes, KEHONG BIO provides custom synthesis services for (2-Tert-butyl-3-methyl-4,6-dinitrophenyl) acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.