3,4-Dimethyl-5-pyrazolone
TL;DR: 3,4-Dimethyl-5-pyrazolone (CAS 6628-22-4) is a chemical compound with molecular formula C5H8N2O and molecular weight 112.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethyl-1,4-dihydropyrazol-5-one
Also Known As: 3,4-Dimethyl-5-pyrazolone, 3,4-Dimethylpyrazolin-5-one, 3,4-dimethyl-4,5-dihydro-1H-pyrazol-5-one, 3,4-Dimethyl-2-pyrazolin-5-one, 3,4-Dimethyl-5-pyrazolinone
| Molecular Formula | C5H8N2O |
|---|---|
| Molecular Weight | 112.06 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 112.06366 |
| Heavy Atoms | 8 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 6628-22-4 |
|---|---|
| SMILES | CC1C(=NNC1=O)C |
| InChIKey | PRCIXKQBKWRGMA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dimethyl-5-pyrazolone (CAS 6628-22-4), with molecular formula C5H8N2O and molecular weight 112.06 g/mol. IUPAC: 3,4-dimethyl-1,4-dihydropyrazol-5-one.
Chemical Property Profile of 3,4-Dimethyl-5-pyrazolone
Property Insights of 3,4-Dimethyl-5-pyrazolone
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dimethyl-5-pyrazolone. With a topological polar surface area (TPSA) of 41.5 Ų, 3,4-Dimethyl-5-pyrazolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dimethyl-5-pyrazolone has 1 hydrogen bond donor(s) and 2 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 3,4-Dimethyl-5-pyrazolone?
The CAS number of 3,4-Dimethyl-5-pyrazolone is 6628-22-4.
What is the molecular formula of 3,4-Dimethyl-5-pyrazolone?
The molecular formula of 3,4-Dimethyl-5-pyrazolone is C5H8N2O.
What is the molecular weight of 3,4-Dimethyl-5-pyrazolone?
The molecular weight of 3,4-Dimethyl-5-pyrazolone is 112.06 g/mol.
Where can I buy 3,4-Dimethyl-5-pyrazolone?
You can request a quote for 3,4-Dimethyl-5-pyrazolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dimethyl-5-pyrazolone?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dimethyl-5-pyrazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.