5-(2-hydroxypropan-2-yl)-2-phenyl-1H-pyrazol-3-one
TL;DR: 5-(2-hydroxypropan-2-yl)-2-phenyl-1H-pyrazol-3-one (CAS 70498-84-9) is a chemical compound with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-hydroxypropan-2-yl)-2-phenyl-1H-pyrazol-3-one
Also Known As: 5-(2-hydroxypropan-2-yl)-2-phenyl-1H-pyrazol-3-one, 5-(2-Hydroxypropan-2-yl)-2-phenyl-1,2-dihydro-3H-pyrazol-3-one, RefChem:299483
| Molecular Formula | C12H14N2O2 |
|---|---|
| Molecular Weight | 218.11 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.10553 |
| Heavy Atoms | 16 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 70498-84-9 |
|---|---|
| SMILES | CC(C)(C1=CC(=O)N(N1)C2=CC=CC=C2)O |
| InChIKey | KHLFBLUFWACKHL-UHFFFAOYSA-N |
Product Overview
5-(2-hydroxypropan-2-yl)-2-phenyl-1H-pyrazol-3-one (CAS 70498-84-9), with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol. IUPAC: 5-(2-hydroxypropan-2-yl)-2-phenyl-1H-pyrazol-3-one.
Chemical Property Profile of 5-(2-hydroxypropan-2-yl)-2-phenyl-1H-pyrazol-3-one
Property Insights of 5-(2-hydroxypropan-2-yl)-2-phenyl-1H-pyrazol-3-one
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-hydroxypropan-2-yl)-2-phenyl-1H-pyrazol-3-one. With a topological polar surface area (TPSA) of 52.6 Ų, 5-(2-hydroxypropan-2-yl)-2-phenyl-1H-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2-hydroxypropan-2-yl)-2-phenyl-1H-pyrazol-3-one has 2 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 5-(2-hydroxypropan-2-yl)-2-phenyl-1H-pyrazol-3-one?
The CAS number of 5-(2-hydroxypropan-2-yl)-2-phenyl-1H-pyrazol-3-one is 70498-84-9.
What is the molecular formula of 5-(2-hydroxypropan-2-yl)-2-phenyl-1H-pyrazol-3-one?
The molecular formula of 5-(2-hydroxypropan-2-yl)-2-phenyl-1H-pyrazol-3-one is C12H14N2O2.
What is the molecular weight of 5-(2-hydroxypropan-2-yl)-2-phenyl-1H-pyrazol-3-one?
The molecular weight of 5-(2-hydroxypropan-2-yl)-2-phenyl-1H-pyrazol-3-one is 218.11 g/mol.
Where can I buy 5-(2-hydroxypropan-2-yl)-2-phenyl-1H-pyrazol-3-one?
You can request a quote for 5-(2-hydroxypropan-2-yl)-2-phenyl-1H-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 5-(2-hydroxypropan-2-yl)-2-phenyl-1H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-hydroxypropan-2-yl)-2-phenyl-1H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.