ChemDiv1_007674
TL;DR: ChemDiv1_007674 (CAS 333770-70-0) 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-[3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(2-methylphenoxy)ethanone
Also Known As: ChemDiv1_007674, BAS 01002446, 1-[3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(2-methylphenoxy)ethanone, 3-butyl-1-[(2-methylphenoxy)acetyl]-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol, 1-(3-butyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(o-tolyloxy)ethanone
| Molecular Formula | C17H21F3N2O3 |
|---|---|
| Molecular Weight | 358.15 g/mol |
| LogP | 3.40322 |
| Topological Polar Surface Area | 62.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 358.15042 |
| Heavy Atoms | 25 |
| Complexity | 660.7833 |
Chemical Identifiers
| CAS Number | 333770-70-0 |
|---|---|
| SMILES | CCCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)COC2=CC=CC=C2C |
Product Overview
ChemDiv1_007674 (CAS 333770-70-0), with molecular formula C17H21F3N2O3 and molecular weight 358.15 g/mol. IUPAC: 1-[3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(2-methylphenoxy)ethanone.
Chemical Property Profile of ChemDiv1_007674
Property Insights of ChemDiv1_007674
The XLogP value of 3.40322 indicates that ChemDiv1_007674 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.13 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_007674. Following Lipinski's Rule of Five, ChemDiv1_007674 has 1 hydrogen bond donor(s) and 4 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 ChemDiv1_007674?
The CAS number of ChemDiv1_007674 is 333770-70-0.
What is the molecular formula of ChemDiv1_007674?
The molecular formula of ChemDiv1_007674 is C17H21F3N2O3.
What is the molecular weight of ChemDiv1_007674?
The molecular weight of ChemDiv1_007674 is 358.15 g/mol.
Where can I buy ChemDiv1_007674?
You can request a quote for ChemDiv1_007674 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_007674?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_007674 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.