3H-Pyrazol-3-one, 4-benzoyl-2-hexyl-2,4-dihydro-5-methyl-
TL;DR: 3H-Pyrazol-3-one, 4-benzoyl-2-hexyl-2,4-dihydro-5-methyl- (CAS 143413-95-0) is a chemical compound with molecular formula C17H22N2O2 and molecular weight 286.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzoyl-2-hexyl-5-methyl-4H-pyrazol-3-one
Also Known As: 4-benzoyl-2-hexyl-5-methyl-4H-pyrazol-3-one, 3H-Pyrazol-3-one, 4-benzoyl-2-hexyl-2,4-dihydro-5-methyl-, 4-Benzoyl-1-hexyl-3-methyl-1H-pyrazol-5(4H)-one, 3H-Pyrazol-3-one,4-benzoyl-2-hexyl-2,4-dihydro-5-methyl, 4-Benzoyl-2-hexyl-5-methyl-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C17H22N2O2 |
|---|---|
| Molecular Weight | 286.17 g/mol |
| LogP | 3.2839 |
| Topological Polar Surface Area | 49.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 286.16812 |
| Heavy Atoms | 21 |
| Complexity | 536.9809 |
Chemical Identifiers
| CAS Number | 143413-95-0 |
|---|---|
| SMILES | CCCCCCN1C(=O)C(C(=N1)C)C(=O)C2=CC=CC=C2 |
Product Overview
3H-Pyrazol-3-one, 4-benzoyl-2-hexyl-2,4-dihydro-5-methyl- (CAS 143413-95-0), with molecular formula C17H22N2O2 and molecular weight 286.17 g/mol. IUPAC: 4-benzoyl-2-hexyl-5-methyl-4H-pyrazol-3-one.
Chemical Property Profile of 3H-Pyrazol-3-one, 4-benzoyl-2-hexyl-2,4-dihydro-5-methyl-
Property Insights of 3H-Pyrazol-3-one, 4-benzoyl-2-hexyl-2,4-dihydro-5-methyl-
The XLogP value of 3.2839 indicates that 3H-Pyrazol-3-one, 4-benzoyl-2-hexyl-2,4-dihydro-5-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.74 Ų, 3H-Pyrazol-3-one, 4-benzoyl-2-hexyl-2,4-dihydro-5-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-Pyrazol-3-one, 4-benzoyl-2-hexyl-2,4-dihydro-5-methyl- 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 3H-Pyrazol-3-one, 4-benzoyl-2-hexyl-2,4-dihydro-5-methyl-?
The CAS number of 3H-Pyrazol-3-one, 4-benzoyl-2-hexyl-2,4-dihydro-5-methyl- is 143413-95-0.
What is the molecular formula of 3H-Pyrazol-3-one, 4-benzoyl-2-hexyl-2,4-dihydro-5-methyl-?
The molecular formula of 3H-Pyrazol-3-one, 4-benzoyl-2-hexyl-2,4-dihydro-5-methyl- is C17H22N2O2.
What is the molecular weight of 3H-Pyrazol-3-one, 4-benzoyl-2-hexyl-2,4-dihydro-5-methyl-?
The molecular weight of 3H-Pyrazol-3-one, 4-benzoyl-2-hexyl-2,4-dihydro-5-methyl- is 286.17 g/mol.
Where can I buy 3H-Pyrazol-3-one, 4-benzoyl-2-hexyl-2,4-dihydro-5-methyl-?
You can request a quote for 3H-Pyrazol-3-one, 4-benzoyl-2-hexyl-2,4-dihydro-5-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-Pyrazol-3-one, 4-benzoyl-2-hexyl-2,4-dihydro-5-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 3H-Pyrazol-3-one, 4-benzoyl-2-hexyl-2,4-dihydro-5-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.