(4Z)-4-Benzylidene-5-methyl-2,4-dihydro-3H-pyrazol-3-one
TL;DR: (4Z)-4-Benzylidene-5-methyl-2,4-dihydro-3H-pyrazol-3-one (CAS 68761-49-9) is a chemical compound with molecular formula C11H10N2O and molecular weight 186.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-4-benzylidene-3-methyl-1H-pyrazol-5-one
Also Known As: (4Z)-4-Benzylidene-5-methyl-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C11H10N2O |
|---|---|
| Molecular Weight | 186.08 g/mol |
| LogP | 1.5757 |
| Topological Polar Surface Area | 41.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.07932 |
| Heavy Atoms | 14 |
| Complexity | 418.1735 |
Chemical Identifiers
| CAS Number | 68761-49-9 |
|---|---|
| SMILES | CC\1=NNC(=O)/C1=C\C2=CC=CC=C2 |
Product Overview
(4Z)-4-Benzylidene-5-methyl-2,4-dihydro-3H-pyrazol-3-one (CAS 68761-49-9), with molecular formula C11H10N2O and molecular weight 186.08 g/mol. IUPAC: (4Z)-4-benzylidene-3-methyl-1H-pyrazol-5-one.
Chemical Property Profile of (4Z)-4-Benzylidene-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Property Insights of (4Z)-4-Benzylidene-5-methyl-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 1.5757 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4Z)-4-Benzylidene-5-methyl-2,4-dihydro-3H-pyrazol-3-one. With a topological polar surface area (TPSA) of 41.46 Ų, (4Z)-4-Benzylidene-5-methyl-2,4-dihydro-3H-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4Z)-4-Benzylidene-5-methyl-2,4-dihydro-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 (4Z)-4-Benzylidene-5-methyl-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of (4Z)-4-Benzylidene-5-methyl-2,4-dihydro-3H-pyrazol-3-one is 68761-49-9.
What is the molecular formula of (4Z)-4-Benzylidene-5-methyl-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of (4Z)-4-Benzylidene-5-methyl-2,4-dihydro-3H-pyrazol-3-one is C11H10N2O.
What is the molecular weight of (4Z)-4-Benzylidene-5-methyl-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of (4Z)-4-Benzylidene-5-methyl-2,4-dihydro-3H-pyrazol-3-one is 186.08 g/mol.
Where can I buy (4Z)-4-Benzylidene-5-methyl-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for (4Z)-4-Benzylidene-5-methyl-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 (4Z)-4-Benzylidene-5-methyl-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for (4Z)-4-Benzylidene-5-methyl-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.