4-dodecyl-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one
TL;DR: 4-dodecyl-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one (CAS 97259-72-8) is a chemical compound with molecular formula C22H34N2O and molecular weight 342.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-dodecyl-5-methyl-2-phenyl-4H-pyrazol-3-one
Also Known As: EINECS 306-435-5, 4-Dodecyl-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one, 4-Dodecyl-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one, 4-dodecyl-5-methyl-2-phenyl-4H-pyrazol-3-one, 4-dodecyl-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one
| Molecular Formula | C22H34N2O |
|---|---|
| Molecular Weight | 342.27 g/mol |
| LogP | 6.3363 |
| Topological Polar Surface Area | 32.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 342.26712 |
| Heavy Atoms | 25 |
| Complexity | 538.218 |
Chemical Identifiers
| CAS Number | 97259-72-8 |
|---|---|
| SMILES | CCCCCCCCCCCCC1C(=NN(C1=O)C2=CC=CC=C2)C |
Product Overview
4-dodecyl-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one (CAS 97259-72-8), with molecular formula C22H34N2O and molecular weight 342.27 g/mol. IUPAC: 4-dodecyl-5-methyl-2-phenyl-4H-pyrazol-3-one.
Chemical Property Profile of 4-dodecyl-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one
Property Insights of 4-dodecyl-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one
The XLogP value of 6.3363 indicates that 4-dodecyl-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.67 Ų, 4-dodecyl-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-dodecyl-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-dodecyl-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one?
The CAS number of 4-dodecyl-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one is 97259-72-8.
What is the molecular formula of 4-dodecyl-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one?
The molecular formula of 4-dodecyl-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one is C22H34N2O.
What is the molecular weight of 4-dodecyl-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one?
The molecular weight of 4-dodecyl-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one is 342.27 g/mol.
Where can I buy 4-dodecyl-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one?
You can request a quote for 4-dodecyl-2,4-dihydro-5-methyl-2-phenyl-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-dodecyl-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-dodecyl-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.