Nivimedone
TL;DR: Nivimedone (CAS 49561-92-4) is a chemical compound with molecular formula C11H9NO4 and molecular weight 219.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dimethyl-2-nitroindene-1,3-dione
Also Known As: Nivimedone, Nivimedonum, Nivimedona, Nivimedone [INN:BAN], Nivimedonum [INN-Latin]
| Molecular Formula | C11H9NO4 |
|---|---|
| Molecular Weight | 219.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 219.05316 |
| Heavy Atoms | 16 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 49561-92-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)C(=O)C(C2=O)[N+](=O)[O-] |
| InChIKey | KMQFWCXRCDQFFQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nivimedone (CAS 49561-92-4), with molecular formula C11H9NO4 and molecular weight 219.05 g/mol. IUPAC: 5,6-dimethyl-2-nitroindene-1,3-dione.
Chemical Property Profile of Nivimedone
Property Insights of Nivimedone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nivimedone. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Nivimedone. Following Lipinski's Rule of Five, Nivimedone has 0 hydrogen bond donor(s) and 4 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 Nivimedone?
The CAS number of Nivimedone is 49561-92-4.
What is the molecular formula of Nivimedone?
The molecular formula of Nivimedone is C11H9NO4.
What is the molecular weight of Nivimedone?
The molecular weight of Nivimedone is 219.05 g/mol.
Where can I buy Nivimedone?
You can request a quote for Nivimedone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nivimedone?
Yes, KEHONG BIO provides custom synthesis services for Nivimedone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.