BAS 00606723
TL;DR: BAS 00606723 (CAS 331834-88-9) is a chemical compound with molecular formula C14H15F3N2O2 and molecular weight 300.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-phenylpropan-1-one
Also Known As: BAS 00606723, 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-3-phenylpropan-1-one, 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-phenylpropan-1-one, 3-methyl-1-(3-phenylpropanoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol, 1-(5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-3-phenylpropan-1-one
| Molecular Formula | C14H15F3N2O2 |
|---|---|
| Molecular Weight | 300.11 g/mol |
| LogP | 2.4783 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.10855 |
| Heavy Atoms | 21 |
| Complexity | 557.0876 |
Chemical Identifiers
| CAS Number | 331834-88-9 |
|---|---|
| SMILES | CC1=NN(C(C1)(C(F)(F)F)O)C(=O)CCC2=CC=CC=C2 |
Product Overview
BAS 00606723 (CAS 331834-88-9), with molecular formula C14H15F3N2O2 and molecular weight 300.11 g/mol. IUPAC: 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-phenylpropan-1-one.
Chemical Property Profile of BAS 00606723
Property Insights of BAS 00606723
The XLogP value of 2.4783 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00606723. With a topological polar surface area (TPSA) of 52.9 Ų, BAS 00606723 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00606723 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 BAS 00606723?
The CAS number of BAS 00606723 is 331834-88-9.
What is the molecular formula of BAS 00606723?
The molecular formula of BAS 00606723 is C14H15F3N2O2.
What is the molecular weight of BAS 00606723?
The molecular weight of BAS 00606723 is 300.11 g/mol.
Where can I buy BAS 00606723?
You can request a quote for BAS 00606723 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00606723?
Yes, KEHONG BIO provides custom synthesis services for BAS 00606723 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.