Acetic acid, trifluoro-, p-methoxyphenyl ester
TL;DR: Acetic acid, trifluoro-, p-methoxyphenyl ester (CAS 5672-87-7) is a chemical compound with molecular formula C9H7F3O3 and molecular weight 220.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxyphenyl) 2,2,2-trifluoroacetate
Also Known As: 4-Methoxyphenoltrifluoroacetate, Acetic acid, trifluoro-, p-methoxyphenyl ester, p-Methoxyphenyltrifluoracetat, 4-Methoxyphenol trifluoroacetate, p-methoxyphenyl trifluoroacetate
| Molecular Formula | C9H7F3O3 |
|---|---|
| Molecular Weight | 220.03 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.03473 |
| Heavy Atoms | 15 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 5672-87-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)OC(=O)C(F)(F)F |
| InChIKey | USKCDUZMASNBCQ-UHFFFAOYSA-N |
Product Overview
Acetic acid, trifluoro-, p-methoxyphenyl ester (CAS 5672-87-7), with molecular formula C9H7F3O3 and molecular weight 220.03 g/mol. IUPAC: (4-methoxyphenyl) 2,2,2-trifluoroacetate.
Chemical Property Profile of Acetic acid, trifluoro-, p-methoxyphenyl ester
Property Insights of Acetic acid, trifluoro-, p-methoxyphenyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, trifluoro-, p-methoxyphenyl ester. With a topological polar surface area (TPSA) of 35.5 Ų, Acetic acid, trifluoro-, p-methoxyphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, trifluoro-, p-methoxyphenyl ester 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 Acetic acid, trifluoro-, p-methoxyphenyl ester?
The CAS number of Acetic acid, trifluoro-, p-methoxyphenyl ester is 5672-87-7.
What is the molecular formula of Acetic acid, trifluoro-, p-methoxyphenyl ester?
The molecular formula of Acetic acid, trifluoro-, p-methoxyphenyl ester is C9H7F3O3.
What is the molecular weight of Acetic acid, trifluoro-, p-methoxyphenyl ester?
The molecular weight of Acetic acid, trifluoro-, p-methoxyphenyl ester is 220.03 g/mol.
Where can I buy Acetic acid, trifluoro-, p-methoxyphenyl ester?
You can request a quote for Acetic acid, trifluoro-, p-methoxyphenyl 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-, p-methoxyphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, trifluoro-, p-methoxyphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.