![[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[3-[(4-bromo-3-nitropyrazol-1-yl)methyl]phenyl]methanone structure](/static/products/5128/512817-66-2.webp)
[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[3-[(4-bromo-3-nitropyrazol-1-yl)methyl]phenyl]methanone
TL;DR: [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[3-[(4-bromo-3-nitropyrazol-1-yl)methyl]phenyl]methanone (CAS 512817-66-2) is a chemical compound with molecular formula C16H12BrF4N5O4 and molecular weight 493.00 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]-[3-[(4-bromo-3-nitropyrazol-1-yl)methyl]phenyl]methanone
Also Known As: [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[3-[(4-bromo-3-nitropyrazol-1-yl)methyl]phenyl]methanone, [3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}methanone, 1-[3-({4-bromo-3-nitro-1H-pyrazol-1-yl}methyl)benzoyl]-3,5-bis(difluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
| Molecular Formula | C16H12BrF4N5O4 |
|---|---|
| Molecular Weight | 493.00 g/mol |
| LogP | 3.0228 |
| Topological Polar Surface Area | 113.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 493.0009 |
| Heavy Atoms | 30 |
| Complexity | 1030.8143 |
Chemical Identifiers
| CAS Number | 512817-66-2 |
|---|---|
| SMILES | C1C(=NN(C1(C(F)F)O)C(=O)C2=CC=CC(=C2)CN3C=C(C(=N3)[N+](=O)[O-])Br)C(F)F |
Product Overview
[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[3-[(4-bromo-3-nitropyrazol-1-yl)methyl]phenyl]methanone (CAS 512817-66-2), with molecular formula C16H12BrF4N5O4 and molecular weight 493.00 g/mol. IUPAC: [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[3-[(4-bromo-3-nitropyrazol-1-yl)methyl]phenyl]methanone.
Chemical Property Profile of [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[3-[(4-bromo-3-nitropyrazol-1-yl)methyl]phenyl]methanone
Property Insights of [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[3-[(4-bromo-3-nitropyrazol-1-yl)methyl]phenyl]methanone
The XLogP value of 3.0228 indicates that [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[3-[(4-bromo-3-nitropyrazol-1-yl)methyl]phenyl]methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.86 Ų falls within the moderate polarity range, balancing permeability and solubility for [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[3-[(4-bromo-3-nitropyrazol-1-yl)methyl]phenyl]methanone. Following Lipinski's Rule of Five, [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[3-[(4-bromo-3-nitropyrazol-1-yl)methyl]phenyl]methanone has 1 hydrogen bond donor(s) and 6 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-4H-pyrazol-1-yl]-[3-[(4-bromo-3-nitropyrazol-1-yl)methyl]phenyl]methanone?
The CAS number of [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[3-[(4-bromo-3-nitropyrazol-1-yl)methyl]phenyl]methanone is 512817-66-2.
What is the molecular formula of [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[3-[(4-bromo-3-nitropyrazol-1-yl)methyl]phenyl]methanone?
The molecular formula of [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[3-[(4-bromo-3-nitropyrazol-1-yl)methyl]phenyl]methanone is C16H12BrF4N5O4.
What is the molecular weight of [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[3-[(4-bromo-3-nitropyrazol-1-yl)methyl]phenyl]methanone?
The molecular weight of [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[3-[(4-bromo-3-nitropyrazol-1-yl)methyl]phenyl]methanone is 493.00 g/mol.
Where can I buy [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[3-[(4-bromo-3-nitropyrazol-1-yl)methyl]phenyl]methanone?
You can request a quote for [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[3-[(4-bromo-3-nitropyrazol-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-4H-pyrazol-1-yl]-[3-[(4-bromo-3-nitropyrazol-1-yl)methyl]phenyl]methanone?
Yes, KEHONG BIO provides custom synthesis services for [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[3-[(4-bromo-3-nitropyrazol-1-yl)methyl]phenyl]methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.