2H-1-Benzopyran-2-one, 7-(1-oxopropoxy)-4-(trifluoromethyl)-
TL;DR: 2H-1-Benzopyran-2-one, 7-(1-oxopropoxy)-4-(trifluoromethyl)- (CAS 141573-63-9) is a chemical compound with molecular formula C13H9F3O4 and molecular weight 286.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-4-(trifluoromethyl)chromen-7-yl] propanoate
Also Known As: 2H-1-Benzopyran-2-one, 7-(1-oxopropoxy)-4-(trifluoromethyl)-, [2-oxo-4-(trifluoromethyl)chromen-7-yl] propanoate, BIM-0044889.P001, 2-Oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl propanoate
| Molecular Formula | C13H9F3O4 |
|---|---|
| Molecular Weight | 286.05 g/mol |
| LogP | 3.1272 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.0453 |
| Heavy Atoms | 20 |
| Complexity | 715.6085 |
Chemical Identifiers
| CAS Number | 141573-63-9 |
|---|---|
| SMILES | CCC(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C(F)(F)F |
Product Overview
2H-1-Benzopyran-2-one, 7-(1-oxopropoxy)-4-(trifluoromethyl)- (CAS 141573-63-9), with molecular formula C13H9F3O4 and molecular weight 286.05 g/mol. IUPAC: [2-oxo-4-(trifluoromethyl)chromen-7-yl] propanoate.
Chemical Property Profile of 2H-1-Benzopyran-2-one, 7-(1-oxopropoxy)-4-(trifluoromethyl)-
Property Insights of 2H-1-Benzopyran-2-one, 7-(1-oxopropoxy)-4-(trifluoromethyl)-
The XLogP value of 3.1272 indicates that 2H-1-Benzopyran-2-one, 7-(1-oxopropoxy)-4-(trifluoromethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.51 Ų, 2H-1-Benzopyran-2-one, 7-(1-oxopropoxy)-4-(trifluoromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1-Benzopyran-2-one, 7-(1-oxopropoxy)-4-(trifluoromethyl)- has 0 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 2H-1-Benzopyran-2-one, 7-(1-oxopropoxy)-4-(trifluoromethyl)-?
The CAS number of 2H-1-Benzopyran-2-one, 7-(1-oxopropoxy)-4-(trifluoromethyl)- is 141573-63-9.
What is the molecular formula of 2H-1-Benzopyran-2-one, 7-(1-oxopropoxy)-4-(trifluoromethyl)-?
The molecular formula of 2H-1-Benzopyran-2-one, 7-(1-oxopropoxy)-4-(trifluoromethyl)- is C13H9F3O4.
What is the molecular weight of 2H-1-Benzopyran-2-one, 7-(1-oxopropoxy)-4-(trifluoromethyl)-?
The molecular weight of 2H-1-Benzopyran-2-one, 7-(1-oxopropoxy)-4-(trifluoromethyl)- is 286.05 g/mol.
Where can I buy 2H-1-Benzopyran-2-one, 7-(1-oxopropoxy)-4-(trifluoromethyl)-?
You can request a quote for 2H-1-Benzopyran-2-one, 7-(1-oxopropoxy)-4-(trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1-Benzopyran-2-one, 7-(1-oxopropoxy)-4-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1-Benzopyran-2-one, 7-(1-oxopropoxy)-4-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.