Methyl penta(trifluoromethyl)benzoate
TL;DR: Methyl penta(trifluoromethyl)benzoate (CAS 6626-10-4) is a chemical compound with molecular formula C13H3F15O2 and molecular weight 475.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,3,4,5,6-pentakis(trifluoromethyl)benzoate
Also Known As: Methyl penta[trifluoromethyl]benzoate, Methyl penta(trifluoromethyl)benzoate, methyl pentakis(trifluoromethyl)benzoate, Methyl 2,3,4,5,6-pentakis(trifluoromethyl)benzoate, Methyl 2,3,4,5,6-pentakis(trifluoromethyl)benzoate #
| Molecular Formula | C13H3F15O2 |
|---|---|
| Molecular Weight | 475.99 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 2 |
| Exact Mass | 475.98935 |
| Heavy Atoms | 30 |
| Complexity | 583.0 |
Chemical Identifiers
| CAS Number | 6626-10-4 |
|---|---|
| SMILES | COC(=O)C1=C(C(=C(C(=C1C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F |
| InChIKey | RVGQUDUUGIWNAS-UHFFFAOYSA-N |
Product Overview
Methyl penta(trifluoromethyl)benzoate (CAS 6626-10-4), with molecular formula C13H3F15O2 and molecular weight 475.99 g/mol. IUPAC: methyl 2,3,4,5,6-pentakis(trifluoromethyl)benzoate.
Chemical Property Profile of Methyl penta(trifluoromethyl)benzoate
Property Insights of Methyl penta(trifluoromethyl)benzoate
The XLogP value of 6.2 indicates that Methyl penta(trifluoromethyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl penta(trifluoromethyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl penta(trifluoromethyl)benzoate has 0 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl penta(trifluoromethyl)benzoate?
The CAS number of Methyl penta(trifluoromethyl)benzoate is 6626-10-4.
What is the molecular formula of Methyl penta(trifluoromethyl)benzoate?
The molecular formula of Methyl penta(trifluoromethyl)benzoate is C13H3F15O2.
What is the molecular weight of Methyl penta(trifluoromethyl)benzoate?
The molecular weight of Methyl penta(trifluoromethyl)benzoate is 475.99 g/mol.
Where can I buy Methyl penta(trifluoromethyl)benzoate?
You can request a quote for Methyl penta(trifluoromethyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl penta(trifluoromethyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl penta(trifluoromethyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.