2-Pyrazolin-5-one, 1,3,4-trimethyl-
TL;DR: 2-Pyrazolin-5-one, 1,3,4-trimethyl- (CAS 17826-82-3) is a chemical compound with molecular formula C6H10N2O and molecular weight 126.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,5-trimethyl-4H-pyrazol-3-one
Also Known As: 2-Pyrazolin-5-one, 1,3,4-trimethyl-, 2,4,5-trimethyl-4H-pyrazol-3-one, 1,3,4-trimethyl-4,5-dihydro-1H-pyrazol-5-one, 2,4-Dihydro-2,4,5-trimethyl-3H-pyrazol-3-one, 2,4,5-Trimethyl-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C6H10N2O |
|---|---|
| Molecular Weight | 126.08 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 126.079315 |
| Heavy Atoms | 9 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 17826-82-3 |
|---|---|
| SMILES | CC1C(=NN(C1=O)C)C |
| InChIKey | CACWZFVIOGIBFP-UHFFFAOYSA-N |
Product Overview
2-Pyrazolin-5-one, 1,3,4-trimethyl- (CAS 17826-82-3), with molecular formula C6H10N2O and molecular weight 126.08 g/mol. IUPAC: 2,4,5-trimethyl-4H-pyrazol-3-one.
Chemical Property Profile of 2-Pyrazolin-5-one, 1,3,4-trimethyl-
Property Insights of 2-Pyrazolin-5-one, 1,3,4-trimethyl-
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pyrazolin-5-one, 1,3,4-trimethyl-. With a topological polar surface area (TPSA) of 32.7 Ų, 2-Pyrazolin-5-one, 1,3,4-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pyrazolin-5-one, 1,3,4-trimethyl- has 0 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 2-Pyrazolin-5-one, 1,3,4-trimethyl-?
The CAS number of 2-Pyrazolin-5-one, 1,3,4-trimethyl- is 17826-82-3.
What is the molecular formula of 2-Pyrazolin-5-one, 1,3,4-trimethyl-?
The molecular formula of 2-Pyrazolin-5-one, 1,3,4-trimethyl- is C6H10N2O.
What is the molecular weight of 2-Pyrazolin-5-one, 1,3,4-trimethyl-?
The molecular weight of 2-Pyrazolin-5-one, 1,3,4-trimethyl- is 126.08 g/mol.
Where can I buy 2-Pyrazolin-5-one, 1,3,4-trimethyl-?
You can request a quote for 2-Pyrazolin-5-one, 1,3,4-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pyrazolin-5-one, 1,3,4-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Pyrazolin-5-one, 1,3,4-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.