1-Pyrenamine, N-(acetyloxy)-8-nitro-
TL;DR: 1-Pyrenamine, N-(acetyloxy)-8-nitro- (CAS 114176-06-6) is a chemical compound with molecular formula C18H12N2O4 and molecular weight 320.0797 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(8-nitropyren-1-yl)amino] acetate
Also Known As: Pet-C22-acetate, Petuniasterone-C22-O-acetate, 1-Pyrenamine, N-(acetyloxy)-8-nitro-, [(8-nitropyren-1-yl)amino] Acetate, KST-1A9923
Technical Specifications
| Molecular Formula | C18H12N2O4 |
| Molecular Weight | 320.0797 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.0797 Da |
| Heavy Atoms | 24 |
| Complexity | 520.0 |
| SMILES | CC(=O)ONC1=C2C=CC3=C(C=CC4=C3C2=C(C=C4)C=C1)[N+](=O)[O-] |
| InChIKey | FLECDYBBEJOCLB-UHFFFAOYSA-N |
Chemical Property Profile of 1-Pyrenamine, N-(acetyloxy)-8-nitro-
Property Insights of 1-Pyrenamine, N-(acetyloxy)-8-nitro-
The XLogP value of 4.9 indicates that 1-Pyrenamine, N-(acetyloxy)-8-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Pyrenamine, N-(acetyloxy)-8-nitro-. Following Lipinski's Rule of Five, 1-Pyrenamine, N-(acetyloxy)-8-nitro- has 1 hydrogen bond donor(s) and 5 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-Pyrenamine, N-(acetyloxy)-8-nitro-?
The CAS number of 1-Pyrenamine, N-(acetyloxy)-8-nitro- is 114176-06-6.
What is the molecular formula of 1-Pyrenamine, N-(acetyloxy)-8-nitro-?
The molecular formula of 1-Pyrenamine, N-(acetyloxy)-8-nitro- is C18H12N2O4.
What is the molecular weight of 1-Pyrenamine, N-(acetyloxy)-8-nitro-?
The molecular weight of 1-Pyrenamine, N-(acetyloxy)-8-nitro- is 320.0797 g/mol.
Where can I buy 1-Pyrenamine, N-(acetyloxy)-8-nitro-?
You can request a quote for 1-Pyrenamine, N-(acetyloxy)-8-nitro- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Pyrenamine, N-(acetyloxy)-8-nitro-?
Yes, CoreyChem provides custom synthesis services for 1-Pyrenamine, N-(acetyloxy)-8-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.