![1,3-Benzenediol, 4-[4-(2-quinolinyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]- structure](/static/products/1175/117561-89-4.webp)
1,3-Benzenediol, 4-[4-(2-quinolinyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-
TL;DR: 1,3-Benzenediol, 4-[4-(2-quinolinyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]- (CAS 117561-89-4) is a chemical compound with molecular formula C19H12F3N3O2 and molecular weight 371.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-quinolin-2-yl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol
Also Known As: 1,3-Benzenediol, 4-[4-(2-quinolinyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-, 4-(4-(Quinolin-2-yl)-5-(trifluoromethyl)-1H-pyrazol-3-yl)benzene-1,3-diol, N-[1-(S)-CBZ-3-PHENYLPROPYL]-L-ALANINE TERT-BUTYL ESTER, 3-hydroxy-4-[4-quinolin-2-yl-5-(trifluoromethyl)-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,5-dien-1-one, 3-Hydroxy-4-[4-(quinolin-2-yl)-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-ylidene]cyclohexa-2,5-dien-1-one
| Molecular Formula | C19H12F3N3O2 |
|---|---|
| Molecular Weight | 371.09 g/mol |
| LogP | 4.7219 |
| Topological Polar Surface Area | 82.03 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 371.08817 |
| Heavy Atoms | 27 |
| Complexity | 1152.6064 |
Chemical Identifiers
| CAS Number | 117561-89-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC(=N2)C3=C(NN=C3C4=C(C=C(C=C4)O)O)C(F)(F)F |
Product Overview
1,3-Benzenediol, 4-[4-(2-quinolinyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]- (CAS 117561-89-4), with molecular formula C19H12F3N3O2 and molecular weight 371.09 g/mol. IUPAC: 4-[4-quinolin-2-yl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol.
Chemical Property Profile of 1,3-Benzenediol, 4-[4-(2-quinolinyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-
Property Insights of 1,3-Benzenediol, 4-[4-(2-quinolinyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-
The XLogP value of 4.7219 indicates that 1,3-Benzenediol, 4-[4-(2-quinolinyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzenediol, 4-[4-(2-quinolinyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-. Following Lipinski's Rule of Five, 1,3-Benzenediol, 4-[4-(2-quinolinyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]- has 3 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 1,3-Benzenediol, 4-[4-(2-quinolinyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-?
The CAS number of 1,3-Benzenediol, 4-[4-(2-quinolinyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]- is 117561-89-4.
What is the molecular formula of 1,3-Benzenediol, 4-[4-(2-quinolinyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-?
The molecular formula of 1,3-Benzenediol, 4-[4-(2-quinolinyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]- is C19H12F3N3O2.
What is the molecular weight of 1,3-Benzenediol, 4-[4-(2-quinolinyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-?
The molecular weight of 1,3-Benzenediol, 4-[4-(2-quinolinyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]- is 371.09 g/mol.
Where can I buy 1,3-Benzenediol, 4-[4-(2-quinolinyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-?
You can request a quote for 1,3-Benzenediol, 4-[4-(2-quinolinyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzenediol, 4-[4-(2-quinolinyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenediol, 4-[4-(2-quinolinyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.