2-Methyl-4,6-dinitrophenyl acetate
TL;DR: 2-Methyl-4,6-dinitrophenyl acetate (CAS 18461-55-7) is a chemical compound with molecular formula C9H8N2O6 and molecular weight 240.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-4,6-dinitrophenyl) acetate
Also Known As: DNOK-acetat, DNOK-acetat [Czech], 4,6-Dinitro-o-cresol acetate, 2-methyl-4,6-dinitrophenyl acetate, (2-methyl-4,6-dinitrophenyl) acetate
| Molecular Formula | C9H8N2O6 |
|---|---|
| Molecular Weight | 240.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 240.03824 |
| Heavy Atoms | 17 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 18461-55-7 |
|---|---|
| SMILES | CC1=CC(=CC(=C1OC(=O)C)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | OEMKFZGDLXBFNO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-4,6-dinitrophenyl acetate (CAS 18461-55-7), with molecular formula C9H8N2O6 and molecular weight 240.04 g/mol. IUPAC: (2-methyl-4,6-dinitrophenyl) acetate.
Chemical Property Profile of 2-Methyl-4,6-dinitrophenyl acetate
Property Insights of 2-Methyl-4,6-dinitrophenyl acetate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-4,6-dinitrophenyl acetate. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-4,6-dinitrophenyl acetate. Following Lipinski's Rule of Five, 2-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-Methyl-4,6-dinitrophenyl acetate?
The CAS number of 2-Methyl-4,6-dinitrophenyl acetate is 18461-55-7.
What is the molecular formula of 2-Methyl-4,6-dinitrophenyl acetate?
The molecular formula of 2-Methyl-4,6-dinitrophenyl acetate is C9H8N2O6.
What is the molecular weight of 2-Methyl-4,6-dinitrophenyl acetate?
The molecular weight of 2-Methyl-4,6-dinitrophenyl acetate is 240.04 g/mol.
Where can I buy 2-Methyl-4,6-dinitrophenyl acetate?
You can request a quote for 2-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-Methyl-4,6-dinitrophenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-4,6-dinitrophenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.