BAS 04299568
TL;DR: BAS 04299568 (CAS 5799-88-2) is a chemical compound with molecular formula C17H14F3N3O2 and molecular weight 349.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-hydroxy-3-pyridin-4-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone
Also Known As: BAS 04299568, BIM-0049312.P001, 1-[5-hydroxy-3-(pyridin-4-yl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-phenylethanone, 1-[5-hydroxy-3-pyridin-4-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone, 1-(phenylacetyl)-3-(4-pyridinyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
| Molecular Formula | C17H14F3N3O2 |
|---|---|
| Molecular Weight | 349.10 g/mol |
| LogP | 2.5116 |
| Topological Polar Surface Area | 65.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.10382 |
| Heavy Atoms | 25 |
| Complexity | 793.7903 |
Chemical Identifiers
| CAS Number | 5799-88-2 |
|---|---|
| SMILES | C1C(=NN(C1(C(F)(F)F)O)C(=O)CC2=CC=CC=C2)C3=CC=NC=C3 |
Product Overview
BAS 04299568 (CAS 5799-88-2), with molecular formula C17H14F3N3O2 and molecular weight 349.10 g/mol. IUPAC: 1-[5-hydroxy-3-pyridin-4-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone.
Chemical Property Profile of BAS 04299568
Property Insights of BAS 04299568
The XLogP value of 2.5116 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04299568. The TPSA of 65.79 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04299568. Following Lipinski's Rule of Five, BAS 04299568 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 BAS 04299568?
The CAS number of BAS 04299568 is 5799-88-2.
What is the molecular formula of BAS 04299568?
The molecular formula of BAS 04299568 is C17H14F3N3O2.
What is the molecular weight of BAS 04299568?
The molecular weight of BAS 04299568 is 349.10 g/mol.
Where can I buy BAS 04299568?
You can request a quote for BAS 04299568 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04299568?
Yes, KEHONG BIO provides custom synthesis services for BAS 04299568 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.