1-(4-tert-butylbenzoyl)-3,5-bis(difluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
TL;DR: 1-(4-tert-butylbenzoyl)-3,5-bis(difluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol (CAS 438229-05-1) is a chemical compound with molecular formula C16H18F4N2O2 and molecular weight 346.13 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-tert-butylphenyl)methanone
Also Known As: 1-(4-tert-butylbenzoyl)-3,5-bis(difluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol, [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(4-tert-butylphenyl)methanone, 3,5-bis(difluoromethyl)-5-hydroxy(2-pyrazolinyl) 4-(tert-butyl)phenyl ketone, [3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl](4-tert-butylphenyl)methanone
| Molecular Formula | C16H18F4N2O2 |
|---|---|
| Molecular Weight | 346.13 g/mol |
| LogP | 3.4048 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.13043 |
| Heavy Atoms | 24 |
| Complexity | 653.03644 |
Chemical Identifiers
| CAS Number | 438229-05-1 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)N2C(CC(=N2)C(F)F)(C(F)F)O |
Product Overview
1-(4-tert-butylbenzoyl)-3,5-bis(difluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol (CAS 438229-05-1), with molecular formula C16H18F4N2O2 and molecular weight 346.13 g/mol. IUPAC: [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(4-tert-butylphenyl)methanone.
Chemical Property Profile of 1-(4-tert-butylbenzoyl)-3,5-bis(difluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
Property Insights of 1-(4-tert-butylbenzoyl)-3,5-bis(difluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
The XLogP value of 3.4048 indicates that 1-(4-tert-butylbenzoyl)-3,5-bis(difluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.9 Ų, 1-(4-tert-butylbenzoyl)-3,5-bis(difluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-tert-butylbenzoyl)-3,5-bis(difluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol 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 1-(4-tert-butylbenzoyl)-3,5-bis(difluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol?
The CAS number of 1-(4-tert-butylbenzoyl)-3,5-bis(difluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol is 438229-05-1.
What is the molecular formula of 1-(4-tert-butylbenzoyl)-3,5-bis(difluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol?
The molecular formula of 1-(4-tert-butylbenzoyl)-3,5-bis(difluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol is C16H18F4N2O2.
What is the molecular weight of 1-(4-tert-butylbenzoyl)-3,5-bis(difluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol?
The molecular weight of 1-(4-tert-butylbenzoyl)-3,5-bis(difluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol is 346.13 g/mol.
Where can I buy 1-(4-tert-butylbenzoyl)-3,5-bis(difluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol?
You can request a quote for 1-(4-tert-butylbenzoyl)-3,5-bis(difluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-tert-butylbenzoyl)-3,5-bis(difluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-tert-butylbenzoyl)-3,5-bis(difluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.