IFLab1_000433
TL;DR: IFLab1_000433 (CAS 51412-02-3) is a chemical compound with molecular formula C20H13F3N2O3 and molecular weight 386.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-hydroxy-5-methyl-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one
Also Known As: IFLab1_000433, IDI1_008652, AB01276657-01, 7-hydroxy-5-methyl-3-(1-phenyl-1H-pyrazol-4-yl)-2-(trifluoromethyl)-4H-chromen-4-one, 7-hydroxy-5-methyl-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one
| Molecular Formula | C20H13F3N2O3 |
|---|---|
| Molecular Weight | 386.09 g/mol |
| LogP | 4.67852 |
| Topological Polar Surface Area | 68.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 386.08783 |
| Heavy Atoms | 28 |
| Complexity | 1241.5138 |
Chemical Identifiers
| CAS Number | 51412-02-3 |
|---|---|
| SMILES | CC1=CC(=CC2=C1C(=O)C(=C(O2)C(F)(F)F)C3=CN(N=C3)C4=CC=CC=C4)O |
Product Overview
IFLab1_000433 (CAS 51412-02-3), with molecular formula C20H13F3N2O3 and molecular weight 386.09 g/mol. IUPAC: 7-hydroxy-5-methyl-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one.
Chemical Property Profile of IFLab1_000433
Property Insights of IFLab1_000433
The XLogP value of 4.67852 indicates that IFLab1_000433 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.26 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_000433. Following Lipinski's Rule of Five, IFLab1_000433 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 IFLab1_000433?
The CAS number of IFLab1_000433 is 51412-02-3.
What is the molecular formula of IFLab1_000433?
The molecular formula of IFLab1_000433 is C20H13F3N2O3.
What is the molecular weight of IFLab1_000433?
The molecular weight of IFLab1_000433 is 386.09 g/mol.
Where can I buy IFLab1_000433?
You can request a quote for IFLab1_000433 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_000433?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_000433 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.