6-tert-Butyl-3-methyl-2,4-dinitrophenyl benzoate
TL;DR: 6-tert-Butyl-3-methyl-2,4-dinitrophenyl benzoate (CAS 17317-26-9) is a chemical compound with molecular formula C18H18N2O6 and molecular weight 358.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-tert-butyl-3-methyl-2,4-dinitrophenyl) benzoate
Also Known As: 6-tert-Butyl-3-methyl-2,4-dinitrophenyl benzoate, (6-tert-butyl-3-methyl-2,4-dinitrophenyl) benzoate
| Molecular Formula | C18H18N2O6 |
|---|---|
| Molecular Weight | 358.12 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.1165 |
| Heavy Atoms | 26 |
| Complexity | 541.0 |
Chemical Identifiers
| CAS Number | 17317-26-9 |
|---|---|
| SMILES | CC1=C(C=C(C(=C1[N+](=O)[O-])OC(=O)C2=CC=CC=C2)C(C)(C)C)[N+](=O)[O-] |
| InChIKey | OJZVSVMKIICKBM-UHFFFAOYSA-N |
Product Overview
6-tert-Butyl-3-methyl-2,4-dinitrophenyl benzoate (CAS 17317-26-9), with molecular formula C18H18N2O6 and molecular weight 358.12 g/mol. IUPAC: (6-tert-butyl-3-methyl-2,4-dinitrophenyl) benzoate.
Chemical Property Profile of 6-tert-Butyl-3-methyl-2,4-dinitrophenyl benzoate
Property Insights of 6-tert-Butyl-3-methyl-2,4-dinitrophenyl benzoate
The XLogP value of 5.0 indicates that 6-tert-Butyl-3-methyl-2,4-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 6-tert-Butyl-3-methyl-2,4-dinitrophenyl benzoate. Following Lipinski's Rule of Five, 6-tert-Butyl-3-methyl-2,4-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 6-tert-Butyl-3-methyl-2,4-dinitrophenyl benzoate?
The CAS number of 6-tert-Butyl-3-methyl-2,4-dinitrophenyl benzoate is 17317-26-9.
What is the molecular formula of 6-tert-Butyl-3-methyl-2,4-dinitrophenyl benzoate?
The molecular formula of 6-tert-Butyl-3-methyl-2,4-dinitrophenyl benzoate is C18H18N2O6.
What is the molecular weight of 6-tert-Butyl-3-methyl-2,4-dinitrophenyl benzoate?
The molecular weight of 6-tert-Butyl-3-methyl-2,4-dinitrophenyl benzoate is 358.12 g/mol.
Where can I buy 6-tert-Butyl-3-methyl-2,4-dinitrophenyl benzoate?
You can request a quote for 6-tert-Butyl-3-methyl-2,4-dinitrophenyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-tert-Butyl-3-methyl-2,4-dinitrophenyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 6-tert-Butyl-3-methyl-2,4-dinitrophenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.