BAS 02987805
TL;DR: BAS 02987805 (CAS 333750-68-8) is a chemical compound with molecular formula C17H21F3N2O3 and molecular weight 358.15 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]-2-(5-methyl-2-propan-2-ylphenoxy)ethanone
Also Known As: BAS 02987805, 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[5-methyl-2-(propan-2-yl)phenoxy]ethanone, 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)ethanone, 2-Pyrazoline, 5-hydroxy-3-methyl-5-trifluoromethyl-1-(2-isopropyl-5-methylphenoxyacetyl)-, 1-(5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(2-isopropyl-5-methylphenoxy)ethanone
| Molecular Formula | C17H21F3N2O3 |
|---|---|
| Molecular Weight | 358.15 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 62.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.15042 |
| Heavy Atoms | 25 |
| Complexity | 536.0 |
Chemical Identifiers
| CAS Number | 333750-68-8 |
|---|---|
| SMILES | CC1=NN(C(C1)(C(F)(F)F)O)C(=O)COC2=C(C=CC(=C2)C)C(C)C |
| InChIKey | VDALKOVJMWIAJK-UHFFFAOYSA-N |
Product Overview
BAS 02987805 (CAS 333750-68-8), with molecular formula C17H21F3N2O3 and molecular weight 358.15 g/mol. IUPAC: 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)ethanone.
Chemical Property Profile of BAS 02987805
Property Insights of BAS 02987805
The XLogP value of 3.7 indicates that BAS 02987805 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.1 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02987805. Following Lipinski's Rule of Five, BAS 02987805 has 1 hydrogen bond donor(s) and 7 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 02987805?
The CAS number of BAS 02987805 is 333750-68-8.
What is the molecular formula of BAS 02987805?
The molecular formula of BAS 02987805 is C17H21F3N2O3.
What is the molecular weight of BAS 02987805?
The molecular weight of BAS 02987805 is 358.15 g/mol.
Where can I buy BAS 02987805?
You can request a quote for BAS 02987805 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02987805?
Yes, KEHONG BIO provides custom synthesis services for BAS 02987805 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.