3H-Pyrazol-3-one, 2-benzoyl-2,4-dihydro-5-methyl-
TL;DR: 3H-Pyrazol-3-one, 2-benzoyl-2,4-dihydro-5-methyl- (CAS 51686-30-7) is a chemical compound with molecular formula C11H10N2O2 and molecular weight 202.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzoyl-5-methyl-4H-pyrazol-3-one
Also Known As: 2-benzoyl-5-methyl-4H-pyrazol-3-one, 1-benzoyl-3-methyl-1H-pyrazol-5(4H)-one, 3H-Pyrazol-3-one, 2-benzoyl-2,4-dihydro-5-methyl-, 2-Benzoyl-5-methyl-2,4-dihydro-3H-pyrazol-3-one, 3H-Pyrazol-3-one,2-benzoyl-2,4-dihydro-5-methyl
| Molecular Formula | C11H10N2O2 |
|---|---|
| Molecular Weight | 202.07 g/mol |
| LogP | 1.435 |
| Topological Polar Surface Area | 49.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 202.07423 |
| Heavy Atoms | 15 |
| Complexity | 437.16095 |
Chemical Identifiers
| CAS Number | 51686-30-7 |
|---|---|
| SMILES | CC1=NN(C(=O)C1)C(=O)C2=CC=CC=C2 |
Product Overview
3H-Pyrazol-3-one, 2-benzoyl-2,4-dihydro-5-methyl- (CAS 51686-30-7), with molecular formula C11H10N2O2 and molecular weight 202.07 g/mol. IUPAC: 2-benzoyl-5-methyl-4H-pyrazol-3-one.
Chemical Property Profile of 3H-Pyrazol-3-one, 2-benzoyl-2,4-dihydro-5-methyl-
Property Insights of 3H-Pyrazol-3-one, 2-benzoyl-2,4-dihydro-5-methyl-
The XLogP value of 1.435 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-Pyrazol-3-one, 2-benzoyl-2,4-dihydro-5-methyl-. With a topological polar surface area (TPSA) of 49.74 Ų, 3H-Pyrazol-3-one, 2-benzoyl-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, 2-benzoyl-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, 2-benzoyl-2,4-dihydro-5-methyl-?
The CAS number of 3H-Pyrazol-3-one, 2-benzoyl-2,4-dihydro-5-methyl- is 51686-30-7.
What is the molecular formula of 3H-Pyrazol-3-one, 2-benzoyl-2,4-dihydro-5-methyl-?
The molecular formula of 3H-Pyrazol-3-one, 2-benzoyl-2,4-dihydro-5-methyl- is C11H10N2O2.
What is the molecular weight of 3H-Pyrazol-3-one, 2-benzoyl-2,4-dihydro-5-methyl-?
The molecular weight of 3H-Pyrazol-3-one, 2-benzoyl-2,4-dihydro-5-methyl- is 202.07 g/mol.
Where can I buy 3H-Pyrazol-3-one, 2-benzoyl-2,4-dihydro-5-methyl-?
You can request a quote for 3H-Pyrazol-3-one, 2-benzoyl-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, 2-benzoyl-2,4-dihydro-5-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 3H-Pyrazol-3-one, 2-benzoyl-2,4-dihydro-5-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.