BAS 02987850
TL;DR: BAS 02987850 (CAS 333750-70-2) is a chemical compound with molecular formula C15H17F3N2O3 and molecular weight 330.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dimethylphenoxy)-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
Also Known As: BAS 02987850, AB00122017-01, 2-(3,4-dimethylphenoxy)-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone, 2-Pyrazoline, 5-hydroxy-3-methyl-5-trifluoromethyl-1-(3,4-dimethylphenoxyacetyl)-, 1-[(3,4-Dimethylphenoxy)acetyl]-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol #
| Molecular Formula | C15H17F3N2O3 |
|---|---|
| Molecular Weight | 330.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 62.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.11914 |
| Heavy Atoms | 23 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 333750-70-2 |
|---|---|
| SMILES | CC1=NN(C(C1)(C(F)(F)F)O)C(=O)COC2=CC(=C(C=C2)C)C |
| InChIKey | DUVMXJLYXDXVEW-UHFFFAOYSA-N |
Product Overview
BAS 02987850 (CAS 333750-70-2), with molecular formula C15H17F3N2O3 and molecular weight 330.12 g/mol. IUPAC: 2-(3,4-dimethylphenoxy)-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone.
Chemical Property Profile of BAS 02987850
Property Insights of BAS 02987850
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02987850. The TPSA of 62.1 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02987850. Following Lipinski's Rule of Five, BAS 02987850 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 02987850?
The CAS number of BAS 02987850 is 333750-70-2.
What is the molecular formula of BAS 02987850?
The molecular formula of BAS 02987850 is C15H17F3N2O3.
What is the molecular weight of BAS 02987850?
The molecular weight of BAS 02987850 is 330.12 g/mol.
Where can I buy BAS 02987850?
You can request a quote for BAS 02987850 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02987850?
Yes, KEHONG BIO provides custom synthesis services for BAS 02987850 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.