Nitecapone
TL;DR: Nitecapone (CAS 1216671-39-4) is a chemical compound with molecular formula C12H11NO6 and molecular weight 265.05862 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(3,4-dihydroxy-5-nitrophenyl)methylidene]pentane-2,4-dione
Also Known As: Nitecapone, Nitecapona, Nitecaponum, Nitecapone [INN], Nitecapone (INN)
Technical Specifications
| Molecular Formula | C12H11NO6 |
| Molecular Weight | 265.05862 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.05862 Da |
| Heavy Atoms | 19 |
| Complexity | 408.0 |
| SMILES | CC(=O)C(=CC1=CC(=C(C(=C1)O)O)[N+](=O)[O-])C(=O)C |
| InChIKey | UPMRZALMHVUCIN-UHFFFAOYSA-N |
Chemical Property Profile of Nitecapone
Property Insights of Nitecapone
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nitecapone. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Nitecapone. Following Lipinski's Rule of Five, Nitecapone has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Nitecapone?
The CAS number of Nitecapone is 1216671-39-4.
What is the molecular formula of Nitecapone?
The molecular formula of Nitecapone is C12H11NO6.
What is the molecular weight of Nitecapone?
The molecular weight of Nitecapone is 265.05862 g/mol.
Where can I buy Nitecapone?
You can request a quote for Nitecapone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Nitecapone?
Yes, CoreyChem provides custom synthesis services for Nitecapone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.