1-(2,4,6-Trinitrophenyl)acetone
TL;DR: 1-(2,4,6-Trinitrophenyl)acetone (CAS 2461-86-1) is a chemical compound with molecular formula C9H7N3O7 and molecular weight 269.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4,6-trinitrophenyl)propan-2-one
Also Known As: Picrylacetone, 2,4,6-trinitrophenylacetone, 1-(2,4,6-trinitrophenyl)propan-2-one, 1-(2,4,6-trinitrophenyl)acetone, 1,3,5-Trinitro-2-(2-oxopropyl)benzene
| Molecular Formula | C9H7N3O7 |
|---|---|
| Molecular Weight | 269.03 g/mol |
| LogP | 1.5427 |
| Topological Polar Surface Area | 146.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 269.0284 |
| Heavy Atoms | 19 |
| Complexity | 560.4712 |
Chemical Identifiers
| CAS Number | 2461-86-1 |
|---|---|
| SMILES | CC(=O)CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
1-(2,4,6-Trinitrophenyl)acetone (CAS 2461-86-1), with molecular formula C9H7N3O7 and molecular weight 269.03 g/mol. IUPAC: 1-(2,4,6-trinitrophenyl)propan-2-one.
Chemical Property Profile of 1-(2,4,6-Trinitrophenyl)acetone
Property Insights of 1-(2,4,6-Trinitrophenyl)acetone
The XLogP value of 1.5427 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,4,6-Trinitrophenyl)acetone. The TPSA of 146.49 Ų indicates high polarity, suggesting 1-(2,4,6-Trinitrophenyl)acetone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(2,4,6-Trinitrophenyl)acetone has 0 hydrogen bond donor(s) and 7 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 1-(2,4,6-Trinitrophenyl)acetone?
The CAS number of 1-(2,4,6-Trinitrophenyl)acetone is 2461-86-1.
What is the molecular formula of 1-(2,4,6-Trinitrophenyl)acetone?
The molecular formula of 1-(2,4,6-Trinitrophenyl)acetone is C9H7N3O7.
What is the molecular weight of 1-(2,4,6-Trinitrophenyl)acetone?
The molecular weight of 1-(2,4,6-Trinitrophenyl)acetone is 269.03 g/mol.
Where can I buy 1-(2,4,6-Trinitrophenyl)acetone?
You can request a quote for 1-(2,4,6-Trinitrophenyl)acetone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,4,6-Trinitrophenyl)acetone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,4,6-Trinitrophenyl)acetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.