Phenol, 3,5-dinitro-O-acetyl-
TL;DR: Phenol, 3,5-dinitro-O-acetyl- (CAS 34253-18-4) is a chemical compound with molecular formula C8H6N2O6 and molecular weight 226.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dinitrophenyl) acetate
Also Known As: 2,4-Dinitrophenylacetat, (3,5-dinitrophenyl) acetate, 3,5-Dinitrophenyl acetate #, Phenol, 3,5-dinitro-O-acetyl-, Phenol, 3,5-dinitro-, acetate (ester)
| Molecular Formula | C8H6N2O6 |
|---|---|
| Molecular Weight | 226.02 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.02258 |
| Heavy Atoms | 16 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 34253-18-4 |
|---|---|
| SMILES | CC(=O)OC1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | NYPAWGXNDKNZFZ-UHFFFAOYSA-N |
Product Overview
Phenol, 3,5-dinitro-O-acetyl- (CAS 34253-18-4), with molecular formula C8H6N2O6 and molecular weight 226.02 g/mol. IUPAC: (3,5-dinitrophenyl) acetate.
Chemical Property Profile of Phenol, 3,5-dinitro-O-acetyl-
Property Insights of Phenol, 3,5-dinitro-O-acetyl-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenol, 3,5-dinitro-O-acetyl-. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenol, 3,5-dinitro-O-acetyl-. Following Lipinski's Rule of Five, Phenol, 3,5-dinitro-O-acetyl- 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 Phenol, 3,5-dinitro-O-acetyl-?
The CAS number of Phenol, 3,5-dinitro-O-acetyl- is 34253-18-4.
What is the molecular formula of Phenol, 3,5-dinitro-O-acetyl-?
The molecular formula of Phenol, 3,5-dinitro-O-acetyl- is C8H6N2O6.
What is the molecular weight of Phenol, 3,5-dinitro-O-acetyl-?
The molecular weight of Phenol, 3,5-dinitro-O-acetyl- is 226.02 g/mol.
Where can I buy Phenol, 3,5-dinitro-O-acetyl-?
You can request a quote for Phenol, 3,5-dinitro-O-acetyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 3,5-dinitro-O-acetyl-?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 3,5-dinitro-O-acetyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.