1-Phenyl-3-methyl-4-benzal-5-pyrazolone
TL;DR: 1-Phenyl-3-methyl-4-benzal-5-pyrazolone (CAS 23901-60-2) is a chemical compound with molecular formula C17H14N2O and molecular weight 262.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzylidene-5-methyl-2-phenylpyrazol-3-one
Also Known As: 1-phenyl-3-methyl-4-benzal-5-pyrazolone, 4-benzylidene-5-methyl-2-phenylpyrazol-3-one, (4Z)-4-benzylidene-5-methyl-2-phenylpyrazol-3-one, (4Z)-5-METHYL-2-PHENYL-4-(PHENYLMETHYLIDENE)PYRAZOL-3-ONE
| Molecular Formula | C17H14N2O |
|---|---|
| Molecular Weight | 262.11 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.11063 |
| Heavy Atoms | 20 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 23901-60-2 |
|---|---|
| SMILES | CC1=NN(C(=O)C1=CC2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | ZWJMMDQHGRHUCZ-UHFFFAOYSA-N |
Product Overview
1-Phenyl-3-methyl-4-benzal-5-pyrazolone (CAS 23901-60-2), with molecular formula C17H14N2O and molecular weight 262.11 g/mol. IUPAC: 4-benzylidene-5-methyl-2-phenylpyrazol-3-one.
Chemical Property Profile of 1-Phenyl-3-methyl-4-benzal-5-pyrazolone
Property Insights of 1-Phenyl-3-methyl-4-benzal-5-pyrazolone
The XLogP value of 3.4 indicates that 1-Phenyl-3-methyl-4-benzal-5-pyrazolone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.7 Ų, 1-Phenyl-3-methyl-4-benzal-5-pyrazolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenyl-3-methyl-4-benzal-5-pyrazolone 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 1-Phenyl-3-methyl-4-benzal-5-pyrazolone?
The CAS number of 1-Phenyl-3-methyl-4-benzal-5-pyrazolone is 23901-60-2.
What is the molecular formula of 1-Phenyl-3-methyl-4-benzal-5-pyrazolone?
The molecular formula of 1-Phenyl-3-methyl-4-benzal-5-pyrazolone is C17H14N2O.
What is the molecular weight of 1-Phenyl-3-methyl-4-benzal-5-pyrazolone?
The molecular weight of 1-Phenyl-3-methyl-4-benzal-5-pyrazolone is 262.11 g/mol.
Where can I buy 1-Phenyl-3-methyl-4-benzal-5-pyrazolone?
You can request a quote for 1-Phenyl-3-methyl-4-benzal-5-pyrazolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-3-methyl-4-benzal-5-pyrazolone?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-3-methyl-4-benzal-5-pyrazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.