Rubazoic acid
TL;DR: Rubazoic acid (CAS 909-59-1) is a chemical compound with molecular formula C20H17N5O2 and molecular weight 359.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)imino]-2-phenylpyrazol-3-one
Also Known As: Rubazoic acid, Rubazonic acid, (Z)-4-((5-Hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)imino)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one, 2-Pyrazolin-5-one, 4,4'-nitrilobis(3-methyl-1-phenyl-, 4,4 -Nitrilobis(3-methyl-1-phenyl-2-pyrazolin-5-one)
| Molecular Formula | C20H17N5O2 |
|---|---|
| Molecular Weight | 359.14 g/mol |
| LogP | 2.6414 |
| Topological Polar Surface Area | 77.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 359.1382 |
| Heavy Atoms | 27 |
| Complexity | 995.5468 |
Chemical Identifiers
| CAS Number | 909-59-1 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=C2C(=NN(C2=O)C3=CC=CC=C3)C)C4=CC=CC=C4 |
Product Overview
Rubazoic acid (CAS 909-59-1), with molecular formula C20H17N5O2 and molecular weight 359.14 g/mol. IUPAC: 5-methyl-4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)imino]-2-phenylpyrazol-3-one.
Chemical Property Profile of Rubazoic acid
Property Insights of Rubazoic acid
The XLogP value of 2.6414 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Rubazoic acid. The TPSA of 77.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Rubazoic acid. Following Lipinski's Rule of Five, Rubazoic acid has 0 hydrogen bond donor(s) and 5 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 Rubazoic acid?
The CAS number of Rubazoic acid is 909-59-1.
What is the molecular formula of Rubazoic acid?
The molecular formula of Rubazoic acid is C20H17N5O2.
What is the molecular weight of Rubazoic acid?
The molecular weight of Rubazoic acid is 359.14 g/mol.
Where can I buy Rubazoic acid?
You can request a quote for Rubazoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rubazoic acid?
Yes, KEHONG BIO provides custom synthesis services for Rubazoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.