Acetic acid, trifluoro-, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester
TL;DR: Acetic acid, trifluoro-, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester (CAS 89568-34-3) is a chemical compound with molecular formula C12H7F3O4 and molecular weight 272.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methyl-2-oxochromen-7-yl) 2,2,2-trifluoroacetate
Also Known As: Acetic acid, trifluoro-, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester, (4-methyl-2-oxochromen-7-yl) 2,2,2-trifluoroacetate, 4-methyl-2-oxo-2H-chromen-7-yl trifluoroacetate, 4-methyl-2-oxochromen-7-yl 2,2,2-trifluoroacetate, 4-Methyl-2-oxo-2H-1-benzopyran-7-yl trifluoroacetate
| Molecular Formula | C12H7F3O4 |
|---|---|
| Molecular Weight | 272.03 g/mol |
| LogP | 2.56912 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 272.02963 |
| Heavy Atoms | 19 |
| Complexity | 700.1672 |
Chemical Identifiers
| CAS Number | 89568-34-3 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C(F)(F)F |
Product Overview
Acetic acid, trifluoro-, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester (CAS 89568-34-3), with molecular formula C12H7F3O4 and molecular weight 272.03 g/mol. IUPAC: (4-methyl-2-oxochromen-7-yl) 2,2,2-trifluoroacetate.
Chemical Property Profile of Acetic acid, trifluoro-, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester
Property Insights of Acetic acid, trifluoro-, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester
The XLogP value of 2.56912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, trifluoro-, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester. With a topological polar surface area (TPSA) of 56.51 Ų, Acetic acid, trifluoro-, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, trifluoro-, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester 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 Acetic acid, trifluoro-, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester?
The CAS number of Acetic acid, trifluoro-, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester is 89568-34-3.
What is the molecular formula of Acetic acid, trifluoro-, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester?
The molecular formula of Acetic acid, trifluoro-, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester is C12H7F3O4.
What is the molecular weight of Acetic acid, trifluoro-, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester?
The molecular weight of Acetic acid, trifluoro-, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester is 272.03 g/mol.
Where can I buy Acetic acid, trifluoro-, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester?
You can request a quote for Acetic acid, trifluoro-, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, trifluoro-, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, trifluoro-, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.