Butyrophenone, 4,4,4-trinitro-
TL;DR: Butyrophenone, 4,4,4-trinitro- (CAS 15473-23-1) is a chemical compound with molecular formula C10H9N3O7 and molecular weight 283.04404 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,4,4-trinitro-1-phenylbutan-1-one
Also Known As: 4,4,4-Trinitrobutyrophenone, BUTYROPHENONE, 4,4,4-TRINITRO-, 4,4,4-trinitro-1-phenylbutan-1-one, 3,3,3-trinitropropyl phenyl ketone, 1,1,1-Trinitro-4-phenylbutan-4-on
Technical Specifications
| Molecular Formula | C10H9N3O7 |
| Molecular Weight | 283.04404 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 155.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.04404 Da |
| Heavy Atoms | 20 |
| Complexity | 378.0 |
| SMILES | C1=CC=C(C=C1)C(=O)CCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | DJJWSSZEXBDPHW-UHFFFAOYSA-N |
Chemical Property Profile of Butyrophenone, 4,4,4-trinitro-
Property Insights of Butyrophenone, 4,4,4-trinitro-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyrophenone, 4,4,4-trinitro-. The TPSA of 155.0 Ų indicates high polarity, suggesting Butyrophenone, 4,4,4-trinitro- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Butyrophenone, 4,4,4-trinitro- 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
What is the CAS number of Butyrophenone, 4,4,4-trinitro-?
The CAS number of Butyrophenone, 4,4,4-trinitro- is 15473-23-1.
What is the molecular formula of Butyrophenone, 4,4,4-trinitro-?
The molecular formula of Butyrophenone, 4,4,4-trinitro- is C10H9N3O7.
What is the molecular weight of Butyrophenone, 4,4,4-trinitro-?
The molecular weight of Butyrophenone, 4,4,4-trinitro- is 283.04404 g/mol.
Where can I buy Butyrophenone, 4,4,4-trinitro-?
You can request a quote for Butyrophenone, 4,4,4-trinitro- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butyrophenone, 4,4,4-trinitro-?
Yes, CoreyChem provides custom synthesis services for Butyrophenone, 4,4,4-trinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.