BAS 02987813
TL;DR: BAS 02987813 (CAS 333750-69-9) is a chemical compound with molecular formula C20H27F3N2O3 and molecular weight 400.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-tert-butyl-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)ethanone
Also Known As: BAS 02987813, 1-[5-tert-butyl-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)ethanone, 1-(5-(tert-butyl)-5-hydroxy-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(2-isopropyl-5-methylphenoxy)ethanone, 1-[5-tert-butyl-5-hydroxy-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[5-methyl-2-(propan-2-yl)phenoxy]ethanone, 2-Pyrazoline, 5-(1,1-dimethylethyl)-5-hydroxy-3-trifluoromethyl-1-(2-isopropyl-5-methylphenoxyacetyl)-
| Molecular Formula | C20H27F3N2O3 |
|---|---|
| Molecular Weight | 400.20 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 62.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.1974 |
| Heavy Atoms | 28 |
| Complexity | 613.0 |
Chemical Identifiers
| CAS Number | 333750-69-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(C)C)OCC(=O)N2C(CC(=N2)C(F)(F)F)(C(C)(C)C)O |
| InChIKey | OSMRZVVFKZLBIJ-UHFFFAOYSA-N |
Product Overview
BAS 02987813 (CAS 333750-69-9), with molecular formula C20H27F3N2O3 and molecular weight 400.20 g/mol. IUPAC: 1-[5-tert-butyl-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)ethanone.
Chemical Property Profile of BAS 02987813
Property Insights of BAS 02987813
The XLogP value of 5.4 indicates that BAS 02987813 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 02987813. Following Lipinski's Rule of Five, BAS 02987813 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 02987813?
The CAS number of BAS 02987813 is 333750-69-9.
What is the molecular formula of BAS 02987813?
The molecular formula of BAS 02987813 is C20H27F3N2O3.
What is the molecular weight of BAS 02987813?
The molecular weight of BAS 02987813 is 400.20 g/mol.
Where can I buy BAS 02987813?
You can request a quote for BAS 02987813 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02987813?
Yes, KEHONG BIO provides custom synthesis services for BAS 02987813 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.