4-Butyl-2,4-dihydro-5-methyl-3H-pyrazol-3-one
TL;DR: 4-Butyl-2,4-dihydro-5-methyl-3H-pyrazol-3-one (CAS 29211-65-2) is a chemical compound with molecular formula C8H14N2O and molecular weight 154.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butyl-3-methyl-1,4-dihydropyrazol-5-one
Also Known As: 3H-Pyrazol-3-one, 4-butyl-2,4-dihydro-5-methyl-, 4-Butyl-2,4-dihydro-5-methyl-3H-pyrazol-3-one, 4-butyl-3-methyl-1,4-dihydropyrazol-5-one, 4-Butyl-5-methyl-2,4-dihydro-3H-pyrazol-3-one, 4-butyl-5-methyl-2,4-dihydropyrazol-3-one
| Molecular Formula | C8H14N2O |
|---|---|
| Molecular Weight | 154.11 g/mol |
| LogP | 1.2985 |
| Topological Polar Surface Area | 41.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 154.11061 |
| Heavy Atoms | 11 |
| Complexity | 186.53108 |
Chemical Identifiers
| CAS Number | 29211-65-2 |
|---|---|
| SMILES | CCCCC1C(=NNC1=O)C |
Product Overview
4-Butyl-2,4-dihydro-5-methyl-3H-pyrazol-3-one (CAS 29211-65-2), with molecular formula C8H14N2O and molecular weight 154.11 g/mol. IUPAC: 4-butyl-3-methyl-1,4-dihydropyrazol-5-one.
Chemical Property Profile of 4-Butyl-2,4-dihydro-5-methyl-3H-pyrazol-3-one
Property Insights of 4-Butyl-2,4-dihydro-5-methyl-3H-pyrazol-3-one
The XLogP value of 1.2985 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Butyl-2,4-dihydro-5-methyl-3H-pyrazol-3-one. With a topological polar surface area (TPSA) of 41.46 Ų, 4-Butyl-2,4-dihydro-5-methyl-3H-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Butyl-2,4-dihydro-5-methyl-3H-pyrazol-3-one 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 4-Butyl-2,4-dihydro-5-methyl-3H-pyrazol-3-one?
The CAS number of 4-Butyl-2,4-dihydro-5-methyl-3H-pyrazol-3-one is 29211-65-2.
What is the molecular formula of 4-Butyl-2,4-dihydro-5-methyl-3H-pyrazol-3-one?
The molecular formula of 4-Butyl-2,4-dihydro-5-methyl-3H-pyrazol-3-one is C8H14N2O.
What is the molecular weight of 4-Butyl-2,4-dihydro-5-methyl-3H-pyrazol-3-one?
The molecular weight of 4-Butyl-2,4-dihydro-5-methyl-3H-pyrazol-3-one is 154.11 g/mol.
Where can I buy 4-Butyl-2,4-dihydro-5-methyl-3H-pyrazol-3-one?
You can request a quote for 4-Butyl-2,4-dihydro-5-methyl-3H-pyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Butyl-2,4-dihydro-5-methyl-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Butyl-2,4-dihydro-5-methyl-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.