BAS 02987858
TL;DR: BAS 02987858 (CAS 333750-72-4) is a chemical compound with molecular formula C18H23F3N2O3 and molecular weight 372.17 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-(3,4-dimethylphenoxy)ethanone
Also Known As: BAS 02987858, 1-[5-tert-butyl-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(3,4-dimethylphenoxy)ethanone, 1-(5-tert-Butyl-5-hydroxy-3-trifluoromethyl-4,5-dihydro-pyrazol-1-yl)-2-(3,4-dimethyl-phenoxy)-ethanone, 1-(5-(tert-butyl)-5-hydroxy-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(3,4-dimethylphenoxy)ethanone, 1-[5-tert-butyl-5-hydroxy-3-(trifluoromethyl)-2-pyrazolin-1-yl]-2-(3,4-dimethylphenoxy)ethanone
| Molecular Formula | C18H23F3N2O3 |
|---|---|
| Molecular Weight | 372.17 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 62.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.16608 |
| Heavy Atoms | 26 |
| Complexity | 571.0 |
Chemical Identifiers
| CAS Number | 333750-72-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)OCC(=O)N2C(CC(=N2)C(F)(F)F)(C(C)(C)C)O)C |
| InChIKey | BTXWJMVVMDBPBX-UHFFFAOYSA-N |
Product Overview
BAS 02987858 (CAS 333750-72-4), with molecular formula C18H23F3N2O3 and molecular weight 372.17 g/mol. IUPAC: 1-[5-tert-butyl-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(3,4-dimethylphenoxy)ethanone.
Chemical Property Profile of BAS 02987858
Property Insights of BAS 02987858
The XLogP value of 4.6 indicates that BAS 02987858 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 02987858. Following Lipinski's Rule of Five, BAS 02987858 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 02987858?
The CAS number of BAS 02987858 is 333750-72-4.
What is the molecular formula of BAS 02987858?
The molecular formula of BAS 02987858 is C18H23F3N2O3.
What is the molecular weight of BAS 02987858?
The molecular weight of BAS 02987858 is 372.17 g/mol.
Where can I buy BAS 02987858?
You can request a quote for BAS 02987858 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02987858?
Yes, KEHONG BIO provides custom synthesis services for BAS 02987858 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.