AF-399/36407059
TL;DR: AF-399/36407059 (CAS 294854-33-4) is a chemical compound with molecular formula C20H13F3O6 and molecular weight 406.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] acetate
Also Known As: AF-399/36407059, [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] acetate, 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl acetate, 3-(2H,3H-benzo[3,4-e]1,4-dioxan-6-yl)-4-oxo-2-(trifluoromethyl)chromen-7-yl ac etate, 3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl acetate
| Molecular Formula | C20H13F3O6 |
|---|---|
| Molecular Weight | 406.07 g/mol |
| LogP | 4.1753 |
| Topological Polar Surface Area | 74.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 406.06644 |
| Heavy Atoms | 29 |
| Complexity | 1179.2758 |
Chemical Identifiers
| CAS Number | 294854-33-4 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CC4=C(C=C3)OCCO4 |
Product Overview
AF-399/36407059 (CAS 294854-33-4), with molecular formula C20H13F3O6 and molecular weight 406.07 g/mol. IUPAC: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] acetate.
Chemical Property Profile of AF-399/36407059
Property Insights of AF-399/36407059
The XLogP value of 4.1753 indicates that AF-399/36407059 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.97 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/36407059. Following Lipinski's Rule of Five, AF-399/36407059 has 0 hydrogen bond donor(s) and 6 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-399/36407059?
The CAS number of AF-399/36407059 is 294854-33-4.
What is the molecular formula of AF-399/36407059?
The molecular formula of AF-399/36407059 is C20H13F3O6.
What is the molecular weight of AF-399/36407059?
The molecular weight of AF-399/36407059 is 406.07 g/mol.
Where can I buy AF-399/36407059?
You can request a quote for AF-399/36407059 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/36407059?
Yes, KEHONG BIO provides custom synthesis services for AF-399/36407059 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.