(3-Bromo-phenyl)-(5-hydroxy-3,5-dimethyl-4,5-dihydro-pyrazol-1-YL)-methanone
TL;DR: (3-Bromo-phenyl)-(5-hydroxy-3,5-dimethyl-4,5-dihydro-pyrazol-1-YL)-methanone (CAS 113307-80-5) is a chemical compound with molecular formula C12H13BrN2O2 and molecular weight 296.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-bromophenyl)-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)methanone
Also Known As: AB00084209-01, 1-(3-bromobenzoyl)-3,5-dimethyl-4,5-dihydro-1H-pyrazol-5-ol, (3-Bromophenyl)(5-hydroxy-3,5-dimethyl-4,5-dihydro-1H-pyrazol-1-yl)methanone, (3-bromophenyl)-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)methanone, (3-Bromo-phenyl)-(5-hydroxy-3,5-dimethyl-4,5-dihydro-pyrazol-1-yl)-methanone
| Molecular Formula | C12H13BrN2O2 |
|---|---|
| Molecular Weight | 296.02 g/mol |
| LogP | 2.3794 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 296.01605 |
| Heavy Atoms | 17 |
| Complexity | 497.03394 |
Chemical Identifiers
| CAS Number | 113307-80-5 |
|---|---|
| SMILES | CC1=NN(C(C1)(C)O)C(=O)C2=CC(=CC=C2)Br |
Product Overview
(3-Bromo-phenyl)-(5-hydroxy-3,5-dimethyl-4,5-dihydro-pyrazol-1-YL)-methanone (CAS 113307-80-5), with molecular formula C12H13BrN2O2 and molecular weight 296.02 g/mol. IUPAC: (3-bromophenyl)-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)methanone.
Chemical Property Profile of (3-Bromo-phenyl)-(5-hydroxy-3,5-dimethyl-4,5-dihydro-pyrazol-1-YL)-methanone
Property Insights of (3-Bromo-phenyl)-(5-hydroxy-3,5-dimethyl-4,5-dihydro-pyrazol-1-YL)-methanone
The XLogP value of 2.3794 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Bromo-phenyl)-(5-hydroxy-3,5-dimethyl-4,5-dihydro-pyrazol-1-YL)-methanone. With a topological polar surface area (TPSA) of 52.9 Ų, (3-Bromo-phenyl)-(5-hydroxy-3,5-dimethyl-4,5-dihydro-pyrazol-1-YL)-methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Bromo-phenyl)-(5-hydroxy-3,5-dimethyl-4,5-dihydro-pyrazol-1-YL)-methanone 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 (3-Bromo-phenyl)-(5-hydroxy-3,5-dimethyl-4,5-dihydro-pyrazol-1-YL)-methanone?
The CAS number of (3-Bromo-phenyl)-(5-hydroxy-3,5-dimethyl-4,5-dihydro-pyrazol-1-YL)-methanone is 113307-80-5.
What is the molecular formula of (3-Bromo-phenyl)-(5-hydroxy-3,5-dimethyl-4,5-dihydro-pyrazol-1-YL)-methanone?
The molecular formula of (3-Bromo-phenyl)-(5-hydroxy-3,5-dimethyl-4,5-dihydro-pyrazol-1-YL)-methanone is C12H13BrN2O2.
What is the molecular weight of (3-Bromo-phenyl)-(5-hydroxy-3,5-dimethyl-4,5-dihydro-pyrazol-1-YL)-methanone?
The molecular weight of (3-Bromo-phenyl)-(5-hydroxy-3,5-dimethyl-4,5-dihydro-pyrazol-1-YL)-methanone is 296.02 g/mol.
Where can I buy (3-Bromo-phenyl)-(5-hydroxy-3,5-dimethyl-4,5-dihydro-pyrazol-1-YL)-methanone?
You can request a quote for (3-Bromo-phenyl)-(5-hydroxy-3,5-dimethyl-4,5-dihydro-pyrazol-1-YL)-methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Bromo-phenyl)-(5-hydroxy-3,5-dimethyl-4,5-dihydro-pyrazol-1-YL)-methanone?
Yes, KEHONG BIO provides custom synthesis services for (3-Bromo-phenyl)-(5-hydroxy-3,5-dimethyl-4,5-dihydro-pyrazol-1-YL)-methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.