AF-399/14944317
TL;DR: AF-399/14944317 (CAS 385401-13-8) is a chemical compound with molecular formula C22H15F3N2O4 and molecular weight 428.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[8-methyl-4-oxo-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-7-yl] acetate
Also Known As: AF-399/14944317, 8-methyl-4-oxo-3-(1-phenyl-1H-pyrazol-4-yl)-2-(trifluoromethyl)-4H-chromen-7-yl acetate, [8-methyl-4-oxo-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-7-yl] acetate, 8-ME-4-OXO-3-(1-PH-1H-PYRAZOL-4-YL)-2-(TRIFLUOROMETHYL)-4H-CHROMEN-7-YL ACETATE
| Molecular Formula | C22H15F3N2O4 |
|---|---|
| Molecular Weight | 428.10 g/mol |
| LogP | 4.89822 |
| Topological Polar Surface Area | 74.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 428.0984 |
| Heavy Atoms | 31 |
| Complexity | 1355.1816 |
Chemical Identifiers
| CAS Number | 385401-13-8 |
|---|---|
| SMILES | CC1=C(C=CC2=C1OC(=C(C2=O)C3=CN(N=C3)C4=CC=CC=C4)C(F)(F)F)OC(=O)C |
Product Overview
AF-399/14944317 (CAS 385401-13-8), with molecular formula C22H15F3N2O4 and molecular weight 428.10 g/mol. IUPAC: [8-methyl-4-oxo-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-7-yl] acetate.
Chemical Property Profile of AF-399/14944317
Property Insights of AF-399/14944317
The XLogP value of 4.89822 indicates that AF-399/14944317 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.33 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/14944317. Following Lipinski's Rule of Five, AF-399/14944317 has 0 hydrogen bond donor(s) and 5 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 AF-399/14944317?
The CAS number of AF-399/14944317 is 385401-13-8.
What is the molecular formula of AF-399/14944317?
The molecular formula of AF-399/14944317 is C22H15F3N2O4.
What is the molecular weight of AF-399/14944317?
The molecular weight of AF-399/14944317 is 428.10 g/mol.
Where can I buy AF-399/14944317?
You can request a quote for AF-399/14944317 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/14944317?
Yes, KEHONG BIO provides custom synthesis services for AF-399/14944317 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.