(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-phenylmethanone
TL;DR: (5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-phenylmethanone (CAS 28620-33-9) 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-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-phenylmethanone
Also Known As: UEAYAOJPDRULLL-UHFFFAOYSA-, BIM-0027544.P001, 1-benzoyl-3,5-dimethyl-5-hydroxy-2-pyrazoline, AB00092752-01, 2-BENZOYL-3,5-DIMETHYL-4H-PYRAZOL-3-OL
| Molecular Formula | C12H14N2O2 |
|---|---|
| Molecular Weight | 218.11 g/mol |
| LogP | 1.6169 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.10553 |
| Heavy Atoms | 16 |
| Complexity | 437.5918 |
Chemical Identifiers
| CAS Number | 28620-33-9 |
|---|---|
| SMILES | CC1=NN(C(C1)(C)O)C(=O)C2=CC=CC=C2 |
Product Overview
(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-phenylmethanone (CAS 28620-33-9), with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol. IUPAC: (5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-phenylmethanone.
Chemical Property Profile of (5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-phenylmethanone
Property Insights of (5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-phenylmethanone
The XLogP value of 1.6169 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-phenylmethanone. With a topological polar surface area (TPSA) of 52.9 Ų, (5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-phenylmethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-phenylmethanone has 1 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-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-phenylmethanone?
The CAS number of (5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-phenylmethanone is 28620-33-9.
What is the molecular formula of (5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-phenylmethanone?
The molecular formula of (5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-phenylmethanone is C12H14N2O2.
What is the molecular weight of (5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-phenylmethanone?
The molecular weight of (5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-phenylmethanone is 218.11 g/mol.
Where can I buy (5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-phenylmethanone?
You can request a quote for (5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-phenylmethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-phenylmethanone?
Yes, KEHONG BIO provides custom synthesis services for (5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-phenylmethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.