3,5-bis(difluoromethyl)-1-(3-fluorobenzoyl)-4,5-dihydro-1H-pyrazol-5-ol
TL;DR: 3,5-bis(difluoromethyl)-1-(3-fluorobenzoyl)-4,5-dihydro-1H-pyrazol-5-ol (CAS 438235-82-6) is a chemical compound with molecular formula C12H9F5N2O2 and molecular weight 308.06 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-fluorophenyl)methanone
Also Known As: 3,5-bis(difluoromethyl)-1-(3-fluorobenzoyl)-4,5-dihydro-1H-pyrazol-5-ol, [3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl](3-fluorophenyl)methanone, [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(3-fluorophenyl)methanone, 3,5-bis(difluoromethyl)-5-hydroxy(2-pyrazolinyl) 3-fluorophenyl ketone
| Molecular Formula | C12H9F5N2O2 |
|---|---|
| Molecular Weight | 308.06 g/mol |
| LogP | 2.2464 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.0584 |
| Heavy Atoms | 21 |
| Complexity | 592.76544 |
Chemical Identifiers
| CAS Number | 438235-82-6 |
|---|---|
| SMILES | C1C(=NN(C1(C(F)F)O)C(=O)C2=CC(=CC=C2)F)C(F)F |
Product Overview
3,5-bis(difluoromethyl)-1-(3-fluorobenzoyl)-4,5-dihydro-1H-pyrazol-5-ol (CAS 438235-82-6), with molecular formula C12H9F5N2O2 and molecular weight 308.06 g/mol. IUPAC: [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(3-fluorophenyl)methanone.
Chemical Property Profile of 3,5-bis(difluoromethyl)-1-(3-fluorobenzoyl)-4,5-dihydro-1H-pyrazol-5-ol
Property Insights of 3,5-bis(difluoromethyl)-1-(3-fluorobenzoyl)-4,5-dihydro-1H-pyrazol-5-ol
The XLogP value of 2.2464 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-bis(difluoromethyl)-1-(3-fluorobenzoyl)-4,5-dihydro-1H-pyrazol-5-ol. With a topological polar surface area (TPSA) of 52.9 Ų, 3,5-bis(difluoromethyl)-1-(3-fluorobenzoyl)-4,5-dihydro-1H-pyrazol-5-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-bis(difluoromethyl)-1-(3-fluorobenzoyl)-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 3,5-bis(difluoromethyl)-1-(3-fluorobenzoyl)-4,5-dihydro-1H-pyrazol-5-ol?
The CAS number of 3,5-bis(difluoromethyl)-1-(3-fluorobenzoyl)-4,5-dihydro-1H-pyrazol-5-ol is 438235-82-6.
What is the molecular formula of 3,5-bis(difluoromethyl)-1-(3-fluorobenzoyl)-4,5-dihydro-1H-pyrazol-5-ol?
The molecular formula of 3,5-bis(difluoromethyl)-1-(3-fluorobenzoyl)-4,5-dihydro-1H-pyrazol-5-ol is C12H9F5N2O2.
What is the molecular weight of 3,5-bis(difluoromethyl)-1-(3-fluorobenzoyl)-4,5-dihydro-1H-pyrazol-5-ol?
The molecular weight of 3,5-bis(difluoromethyl)-1-(3-fluorobenzoyl)-4,5-dihydro-1H-pyrazol-5-ol is 308.06 g/mol.
Where can I buy 3,5-bis(difluoromethyl)-1-(3-fluorobenzoyl)-4,5-dihydro-1H-pyrazol-5-ol?
You can request a quote for 3,5-bis(difluoromethyl)-1-(3-fluorobenzoyl)-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 3,5-bis(difluoromethyl)-1-(3-fluorobenzoyl)-4,5-dihydro-1H-pyrazol-5-ol?
Yes, KEHONG BIO provides custom synthesis services for 3,5-bis(difluoromethyl)-1-(3-fluorobenzoyl)-4,5-dihydro-1H-pyrazol-5-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.