BAS 02987937
TL;DR: BAS 02987937 (CAS 333750-76-8) is a chemical compound with molecular formula C20H20F3N3O3 and molecular weight 407.15 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-(2,4,6-trimethylphenoxy)ethanone
Also Known As: BAS 02987937, 1-[(Mesityloxy)acetyl]-3-(4-pyridinyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol #, 1-(5-hydroxy-3-(pyridin-4-yl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(mesityloxy)ethanone, 1-[5-hydroxy-3-(pyridin-4-yl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone, 1-[5-hydroxy-3-pyridin-4-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone
| Molecular Formula | C20H20F3N3O3 |
|---|---|
| Molecular Weight | 407.15 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 75.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.1457 |
| Heavy Atoms | 29 |
| Complexity | 624.0 |
Chemical Identifiers
| CAS Number | 333750-76-8 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)OCC(=O)N2C(CC(=N2)C3=CC=NC=C3)(C(F)(F)F)O)C |
| InChIKey | DPEGGXJNMKCHTP-UHFFFAOYSA-N |
Product Overview
BAS 02987937 (CAS 333750-76-8), with molecular formula C20H20F3N3O3 and molecular weight 407.15 g/mol. IUPAC: 1-[5-hydroxy-3-pyridin-4-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone.
Chemical Property Profile of BAS 02987937
Property Insights of BAS 02987937
The XLogP value of 3.9 indicates that BAS 02987937 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02987937. Following Lipinski's Rule of Five, BAS 02987937 has 1 hydrogen bond donor(s) and 8 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 02987937?
The CAS number of BAS 02987937 is 333750-76-8.
What is the molecular formula of BAS 02987937?
The molecular formula of BAS 02987937 is C20H20F3N3O3.
What is the molecular weight of BAS 02987937?
The molecular weight of BAS 02987937 is 407.15 g/mol.
Where can I buy BAS 02987937?
You can request a quote for BAS 02987937 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02987937?
Yes, KEHONG BIO provides custom synthesis services for BAS 02987937 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.