Picrolonic acid
TL;DR: Picrolonic acid (CAS 550-74-3) is a chemical compound with molecular formula C10H8N4O5 and molecular weight 264.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one
Also Known As: Picrolonic acid, Pikrolonsaure, PicrolonicAcid, Picrolic acid, Picrolonic acid (VAN)
| Molecular Formula | C10H8N4O5 |
|---|---|
| Molecular Weight | 264.05 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 264.04947 |
| Heavy Atoms | 19 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 550-74-3 |
|---|---|
| SMILES | CC1=NN(C(=O)C1[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | OVFUUSPKWADLNJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Picrolonic acid (CAS 550-74-3), with molecular formula C10H8N4O5 and molecular weight 264.05 g/mol. IUPAC: 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one.
Chemical Property Profile of Picrolonic acid
Property Insights of Picrolonic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Picrolonic acid. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Picrolonic acid. Following Lipinski's Rule of Five, Picrolonic acid has 0 hydrogen bond donor(s) and 6 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 Picrolonic acid?
The CAS number of Picrolonic acid is 550-74-3.
What is the molecular formula of Picrolonic acid?
The molecular formula of Picrolonic acid is C10H8N4O5.
What is the molecular weight of Picrolonic acid?
The molecular weight of Picrolonic acid is 264.05 g/mol.
Where can I buy Picrolonic acid?
You can request a quote for Picrolonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Picrolonic acid?
Yes, KEHONG BIO provides custom synthesis services for Picrolonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.