3-甲基-2-吡唑啉-5-酮
TL;DR: 3-甲基-2-吡唑啉-5-酮 (CAS 108-26-9) is a chemical compound with molecular formula C4H6N2O and molecular weight 98.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-甲基-2-吡唑啉-5-酮
3-methyl-1,4-dihydropyrazol-5-one
Also Known As: 3-Methyl-2-pyrazolin-5-one, 3-Methyl-5-pyrazolone, 3-Methyl-1H-pyrazol-5(4H)-one, 3-Methyl-pyrazolon-(5), 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-
| Molecular Formula | C4H6N2O |
|---|---|
| Molecular Weight | 98.05 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 98.04801 |
| Heavy Atoms | 7 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 108-26-9 |
|---|---|
| SMILES | CC1=NNC(=O)C1 |
| InChIKey | NHLAPJMCARJFOG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-甲基-2-吡唑啉-5-酮 (CAS 108-26-9), with molecular formula C4H6N2O and molecular weight 98.05 g/mol. IUPAC: 3-methyl-1,4-dihydropyrazol-5-one.
Chemical Property Profile of 3-甲基-2-吡唑啉-5-酮
Property Insights of 3-甲基-2-吡唑啉-5-酮
The XLogP value of -0.5 indicates that 3-甲基-2-吡唑啉-5-酮 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 41.5 Ų, 3-甲基-2-吡唑啉-5-酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-甲基-2-吡唑啉-5-酮 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-甲基-2-吡唑啉-5-酮?
The CAS number of 3-甲基-2-吡唑啉-5-酮 is 108-26-9.
What is the molecular formula of 3-甲基-2-吡唑啉-5-酮?
The molecular formula of 3-甲基-2-吡唑啉-5-酮 is C4H6N2O.
What is the molecular weight of 3-甲基-2-吡唑啉-5-酮?
The molecular weight of 3-甲基-2-吡唑啉-5-酮 is 98.05 g/mol.
Where can I buy 3-甲基-2-吡唑啉-5-酮?
You can request a quote for 3-甲基-2-吡唑啉-5-酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-甲基-2-吡唑啉-5-酮?
Yes, KEHONG BIO provides custom synthesis services for 3-甲基-2-吡唑啉-5-酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.