(4s)-4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3h-pyrazol-3-one
TL;DR: (4s)-4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3h-pyrazol-3-one (CAS 46413-67-6) is a chemical compound with molecular formula C17H14N2O2 and molecular weight 278.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S)-4-benzoyl-5-methyl-2-phenyl-4H-pyrazol-3-one
Also Known As: KST-1A4911, No. 118, (4s)-4-benzoyl-5-methyl-2-phenyl-2,4-dihydro-3h-pyrazol-3-one, (4S)-4-benzoyl-5-methyl-2-phenyl-4H-pyrazol-3-one, 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C17H14N2O2 |
|---|---|
| Molecular Weight | 278.11 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.10553 |
| Heavy Atoms | 21 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 46413-67-6 |
|---|---|
| SMILES | CC1=NN(C(=O)[C@@H]1C(=O)C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | JDOLPAMOKSAEMD-HNNXBMFYSA-N |
Product Overview
(4s)-4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3h-pyrazol-3-one (CAS 46413-67-6), with molecular formula C17H14N2O2 and molecular weight 278.11 g/mol. IUPAC: (4S)-4-benzoyl-5-methyl-2-phenyl-4H-pyrazol-3-one.
Chemical Property Profile of (4s)-4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3h-pyrazol-3-one
Property Insights of (4s)-4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3h-pyrazol-3-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4s)-4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3h-pyrazol-3-one. With a topological polar surface area (TPSA) of 49.7 Ų, (4s)-4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3h-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4s)-4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3h-pyrazol-3-one 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 (4s)-4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3h-pyrazol-3-one?
The CAS number of (4s)-4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3h-pyrazol-3-one is 46413-67-6.
What is the molecular formula of (4s)-4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3h-pyrazol-3-one?
The molecular formula of (4s)-4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3h-pyrazol-3-one is C17H14N2O2.
What is the molecular weight of (4s)-4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3h-pyrazol-3-one?
The molecular weight of (4s)-4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3h-pyrazol-3-one is 278.11 g/mol.
Where can I buy (4s)-4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3h-pyrazol-3-one?
You can request a quote for (4s)-4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-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 (4s)-4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3h-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for (4s)-4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3h-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.