![[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}methanone structure](/static/products/5128/512816-27-2.webp)
[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}methanone
TL;DR: [3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}methanone (CAS 512816-27-2) is a chemical compound with molecular formula C18H17BrF4N4O2 and molecular weight 476.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone
Also Known As: [3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}methanone, [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone, 1-{4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoyl}-3,5-bis(difluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
| Molecular Formula | C18H17BrF4N4O2 |
|---|---|
| Molecular Weight | 476.05 g/mol |
| LogP | 3.73144 |
| Topological Polar Surface Area | 70.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 476.0471 |
| Heavy Atoms | 29 |
| Complexity | 961.51587 |
Chemical Identifiers
| CAS Number | 512816-27-2 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)N3C(CC(=N3)C(F)F)(C(F)F)O)C)Br |
Product Overview
[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}methanone (CAS 512816-27-2), with molecular formula C18H17BrF4N4O2 and molecular weight 476.05 g/mol. IUPAC: [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone.
Chemical Property Profile of [3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}methanone
Property Insights of [3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}methanone
The XLogP value of 3.73144 indicates that [3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.72 Ų falls within the moderate polarity range, balancing permeability and solubility for [3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}methanone. Following Lipinski's Rule of Five, [3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}methanone has 1 hydrogen bond donor(s) and 4 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 [3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}methanone?
The CAS number of [3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}methanone is 512816-27-2.
What is the molecular formula of [3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}methanone?
The molecular formula of [3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}methanone is C18H17BrF4N4O2.
What is the molecular weight of [3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}methanone?
The molecular weight of [3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}methanone is 476.05 g/mol.
Where can I buy [3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}methanone?
You can request a quote for [3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}methanone?
Yes, KEHONG BIO provides custom synthesis services for [3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.