Carbonic acid, methyl 3-(trifluoromethyl)phenyl ester
TL;DR: Carbonic acid, methyl 3-(trifluoromethyl)phenyl ester (CAS 54644-50-7) 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.
methyl [3-(trifluoromethyl)phenyl] carbonate
Also Known As: Methyl 3-(trifluoromethyl)phenyl carbonate, methyl [3-(trifluoromethyl)phenyl] carbonate, Methyl 3-(trifluoromethyl)phenyl carbonate #, Carbonic acid, methyl 3-(trifluoromethyl)phenyl ester, Carbonic acid methyl[3-(trifluoromethyl)phenyl] ester
| Molecular Formula | C9H7F3O3 |
|---|---|
| Molecular Weight | 220.03 g/mol |
| LogP | 3.0 |
| 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 | 227.0 |
Chemical Identifiers
| CAS Number | 54644-50-7 |
|---|---|
| SMILES | COC(=O)OC1=CC=CC(=C1)C(F)(F)F |
| InChIKey | BOIFGTBGCZKOCV-UHFFFAOYSA-N |
Product Overview
Carbonic acid, methyl 3-(trifluoromethyl)phenyl ester (CAS 54644-50-7), with molecular formula C9H7F3O3 and molecular weight 220.03 g/mol. IUPAC: methyl [3-(trifluoromethyl)phenyl] carbonate.
Chemical Property Profile of Carbonic acid, methyl 3-(trifluoromethyl)phenyl ester
Property Insights of Carbonic acid, methyl 3-(trifluoromethyl)phenyl ester
The XLogP value of 3.0 indicates that Carbonic acid, methyl 3-(trifluoromethyl)phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Carbonic acid, methyl 3-(trifluoromethyl)phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbonic acid, methyl 3-(trifluoromethyl)phenyl 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 Carbonic acid, methyl 3-(trifluoromethyl)phenyl ester?
The CAS number of Carbonic acid, methyl 3-(trifluoromethyl)phenyl ester is 54644-50-7.
What is the molecular formula of Carbonic acid, methyl 3-(trifluoromethyl)phenyl ester?
The molecular formula of Carbonic acid, methyl 3-(trifluoromethyl)phenyl ester is C9H7F3O3.
What is the molecular weight of Carbonic acid, methyl 3-(trifluoromethyl)phenyl ester?
The molecular weight of Carbonic acid, methyl 3-(trifluoromethyl)phenyl ester is 220.03 g/mol.
Where can I buy Carbonic acid, methyl 3-(trifluoromethyl)phenyl ester?
You can request a quote for Carbonic acid, methyl 3-(trifluoromethyl)phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbonic acid, methyl 3-(trifluoromethyl)phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonic acid, methyl 3-(trifluoromethyl)phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.