3-Methyl-1,2-dioxo-5-phenyl-4H-1lambda~5~,2lambda~5~-pyrazol-4-one
TL;DR: 3-Methyl-1,2-dioxo-5-phenyl-4H-1lambda~5~,2lambda~5~-pyrazol-4-one (CAS 16901-38-5) is a chemical compound with molecular formula C10H8N2O3 and molecular weight 204.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1,2-dioxido-5-phenylpyrazole-1,2-diium-4-one
Also Known As: 3-Methyl-4-oxo-5-phenyl-4H-pyrazole 1,2-dioxide, 3-Phenyl-4-oxo-5-methyl-4H-pyrazole 1,2-dioxide, 3-Phenyl-5-methyl-4-oxo-4H-pyrazole 1,2-dioxide, 4H-PYRAZOL-4-ONE,3-METHYL-5-PHENYL-, 1,2-DIOXIDE, 5-methyl-4-oxo-3-phenyl-4H-pyrazole-1,2-diium-1,2-bis(olate)
| Molecular Formula | C10H8N2O3 |
|---|---|
| Molecular Weight | 204.05 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.0535 |
| Heavy Atoms | 15 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 16901-38-5 |
|---|---|
| SMILES | CC1=[N+]([N+](=C(C1=O)C2=CC=CC=C2)[O-])[O-] |
| InChIKey | KSMKASCJTRVXPR-UHFFFAOYSA-N |
Product Overview
3-Methyl-1,2-dioxo-5-phenyl-4H-1lambda~5~,2lambda~5~-pyrazol-4-one (CAS 16901-38-5), with molecular formula C10H8N2O3 and molecular weight 204.05 g/mol. IUPAC: 3-methyl-1,2-dioxido-5-phenylpyrazole-1,2-diium-4-one.
Chemical Property Profile of 3-Methyl-1,2-dioxo-5-phenyl-4H-1lambda~5~,2lambda~5~-pyrazol-4-one
Property Insights of 3-Methyl-1,2-dioxo-5-phenyl-4H-1lambda~5~,2lambda~5~-pyrazol-4-one
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-1,2-dioxo-5-phenyl-4H-1lambda~5~,2lambda~5~-pyrazol-4-one. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-1,2-dioxo-5-phenyl-4H-1lambda~5~,2lambda~5~-pyrazol-4-one. Following Lipinski's Rule of Five, 3-Methyl-1,2-dioxo-5-phenyl-4H-1lambda~5~,2lambda~5~-pyrazol-4-one has 0 hydrogen bond donor(s) and 3 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 3-Methyl-1,2-dioxo-5-phenyl-4H-1lambda~5~,2lambda~5~-pyrazol-4-one?
The CAS number of 3-Methyl-1,2-dioxo-5-phenyl-4H-1lambda~5~,2lambda~5~-pyrazol-4-one is 16901-38-5.
What is the molecular formula of 3-Methyl-1,2-dioxo-5-phenyl-4H-1lambda~5~,2lambda~5~-pyrazol-4-one?
The molecular formula of 3-Methyl-1,2-dioxo-5-phenyl-4H-1lambda~5~,2lambda~5~-pyrazol-4-one is C10H8N2O3.
What is the molecular weight of 3-Methyl-1,2-dioxo-5-phenyl-4H-1lambda~5~,2lambda~5~-pyrazol-4-one?
The molecular weight of 3-Methyl-1,2-dioxo-5-phenyl-4H-1lambda~5~,2lambda~5~-pyrazol-4-one is 204.05 g/mol.
Where can I buy 3-Methyl-1,2-dioxo-5-phenyl-4H-1lambda~5~,2lambda~5~-pyrazol-4-one?
You can request a quote for 3-Methyl-1,2-dioxo-5-phenyl-4H-1lambda~5~,2lambda~5~-pyrazol-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-1,2-dioxo-5-phenyl-4H-1lambda~5~,2lambda~5~-pyrazol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-1,2-dioxo-5-phenyl-4H-1lambda~5~,2lambda~5~-pyrazol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.