2-hydroxy-2-(pentafluoroethyl)-2,3-dihydro-4H-chromen-4-one
TL;DR: 2-hydroxy-2-(pentafluoroethyl)-2,3-dihydro-4H-chromen-4-one (CAS 381697-69-4) is a chemical compound with molecular formula C11H7F5O3 and molecular weight 282.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-2-(1,1,2,2,2-pentafluoroethyl)-3H-chromen-4-one
Also Known As: 2-hydroxy-2-(perfluoroethyl)chroman-4-one, 2-hydroxy-2-(pentafluoroethyl)-2,3-dihydro-4H-chromen-4-one, 2-hydroxy-2-(1,1,2,2,2-pentafluoroethyl)-3H-chromen-4-one
| Molecular Formula | C11H7F5O3 |
|---|---|
| Molecular Weight | 282.03 g/mol |
| LogP | 2.538 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 282.03152 |
| Heavy Atoms | 19 |
| Complexity | 525.30707 |
Chemical Identifiers
| CAS Number | 381697-69-4 |
|---|---|
| SMILES | C1C(=O)C2=CC=CC=C2OC1(C(C(F)(F)F)(F)F)O |
Product Overview
2-hydroxy-2-(pentafluoroethyl)-2,3-dihydro-4H-chromen-4-one (CAS 381697-69-4), with molecular formula C11H7F5O3 and molecular weight 282.03 g/mol. IUPAC: 2-hydroxy-2-(1,1,2,2,2-pentafluoroethyl)-3H-chromen-4-one.
Chemical Property Profile of 2-hydroxy-2-(pentafluoroethyl)-2,3-dihydro-4H-chromen-4-one
Property Insights of 2-hydroxy-2-(pentafluoroethyl)-2,3-dihydro-4H-chromen-4-one
The XLogP value of 2.538 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-hydroxy-2-(pentafluoroethyl)-2,3-dihydro-4H-chromen-4-one. With a topological polar surface area (TPSA) of 46.53 Ų, 2-hydroxy-2-(pentafluoroethyl)-2,3-dihydro-4H-chromen-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-hydroxy-2-(pentafluoroethyl)-2,3-dihydro-4H-chromen-4-one has 1 hydrogen bond donor(s) and 3 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 2-hydroxy-2-(pentafluoroethyl)-2,3-dihydro-4H-chromen-4-one?
The CAS number of 2-hydroxy-2-(pentafluoroethyl)-2,3-dihydro-4H-chromen-4-one is 381697-69-4.
What is the molecular formula of 2-hydroxy-2-(pentafluoroethyl)-2,3-dihydro-4H-chromen-4-one?
The molecular formula of 2-hydroxy-2-(pentafluoroethyl)-2,3-dihydro-4H-chromen-4-one is C11H7F5O3.
What is the molecular weight of 2-hydroxy-2-(pentafluoroethyl)-2,3-dihydro-4H-chromen-4-one?
The molecular weight of 2-hydroxy-2-(pentafluoroethyl)-2,3-dihydro-4H-chromen-4-one is 282.03 g/mol.
Where can I buy 2-hydroxy-2-(pentafluoroethyl)-2,3-dihydro-4H-chromen-4-one?
You can request a quote for 2-hydroxy-2-(pentafluoroethyl)-2,3-dihydro-4H-chromen-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-hydroxy-2-(pentafluoroethyl)-2,3-dihydro-4H-chromen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-hydroxy-2-(pentafluoroethyl)-2,3-dihydro-4H-chromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.