IFLab1_000655
TL;DR: IFLab1_000655 (CAS 170511-53-2) is a chemical compound with molecular formula C18H11F3O5 and molecular weight 364.06 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)-7-hydroxy-2-(trifluoromethyl)chromen-4-one
Also Known As: IFLab1_000655, 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one, IDI1_008874, BAS 00480317, 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-2-(trifluoromethyl)chromen-4-one
| Molecular Formula | C18H11F3O5 |
|---|---|
| Molecular Weight | 364.06 g/mol |
| LogP | 3.9556 |
| Topological Polar Surface Area | 68.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 364.05585 |
| Heavy Atoms | 26 |
| Complexity | 1068.8352 |
Chemical Identifiers
| CAS Number | 170511-53-2 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)C3=C(OC4=C(C3=O)C=CC(=C4)O)C(F)(F)F |
Product Overview
IFLab1_000655 (CAS 170511-53-2), with molecular formula C18H11F3O5 and molecular weight 364.06 g/mol. IUPAC: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-2-(trifluoromethyl)chromen-4-one.
Chemical Property Profile of IFLab1_000655
Property Insights of IFLab1_000655
The XLogP value of 3.9556 indicates that IFLab1_000655 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.9 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_000655. Following Lipinski's Rule of Five, IFLab1_000655 has 1 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 IFLab1_000655?
The CAS number of IFLab1_000655 is 170511-53-2.
What is the molecular formula of IFLab1_000655?
The molecular formula of IFLab1_000655 is C18H11F3O5.
What is the molecular weight of IFLab1_000655?
The molecular weight of IFLab1_000655 is 364.06 g/mol.
Where can I buy IFLab1_000655?
You can request a quote for IFLab1_000655 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_000655?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_000655 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.