1,3,5-Trinitro-2-acetylpyrrole
TL;DR: 1,3,5-Trinitro-2-acetylpyrrole (CAS 158366-46-2) is a chemical compound with molecular formula C6H4N4O7 and molecular weight 244.008 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1,3,5-trinitropyrrol-2-yl)ethanone
Also Known As: 1,3,5-Trinitro-2-acetylpyrrole, 1-(1,3,5-Trinitro-1H-pyrrol-2-yl)ethanone, 1,3,5-TNAP, 1-(1,3,5-trinitropyrrol-2-yl)ethanone, 2-acetyl-1,3,5-trinitro-pyrrole
Technical Specifications
| Molecular Formula | C6H4N4O7 |
| Molecular Weight | 244.008 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 159.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.008 Da |
| Heavy Atoms | 17 |
| Complexity | 379.0 |
| SMILES | CC(=O)C1=C(C=C(N1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | BXUXAZWQNLUDSN-UHFFFAOYSA-N |
Chemical Property Profile of 1,3,5-Trinitro-2-acetylpyrrole
Property Insights of 1,3,5-Trinitro-2-acetylpyrrole
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,5-Trinitro-2-acetylpyrrole. The TPSA of 159.0 Ų indicates high polarity, suggesting 1,3,5-Trinitro-2-acetylpyrrole may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3,5-Trinitro-2-acetylpyrrole 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 1,3,5-Trinitro-2-acetylpyrrole?
The CAS number of 1,3,5-Trinitro-2-acetylpyrrole is 158366-46-2.
What is the molecular formula of 1,3,5-Trinitro-2-acetylpyrrole?
The molecular formula of 1,3,5-Trinitro-2-acetylpyrrole is C6H4N4O7.
What is the molecular weight of 1,3,5-Trinitro-2-acetylpyrrole?
The molecular weight of 1,3,5-Trinitro-2-acetylpyrrole is 244.008 g/mol.
Where can I buy 1,3,5-Trinitro-2-acetylpyrrole?
You can request a quote for 1,3,5-Trinitro-2-acetylpyrrole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3,5-Trinitro-2-acetylpyrrole?
Yes, CoreyChem provides custom synthesis services for 1,3,5-Trinitro-2-acetylpyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.