Methyl 3,5-bis(trifluoromethyl)benzoate
TL;DR: Methyl 3,5-bis(trifluoromethyl)benzoate (CAS 26107-80-2) is a chemical compound with molecular formula C10H6F6O2 and molecular weight 272.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,5-bis(trifluoromethyl)benzoate
Also Known As: Methyl 3,5-bis(trifluoromethyl)benzoate, RARECHEM AL BF 0207, Benzoic acid, 3,5-bis(trifluoromethyl)-, methyl ester, METHYL3,5-BIS BENZOATE, BUTTPARK 89\07-68
| Molecular Formula | C10H6F6O2 |
|---|---|
| Molecular Weight | 272.03 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.0272 |
| Heavy Atoms | 18 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 26107-80-2 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F |
| InChIKey | LTYNBDAJUXZFHP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3,5-bis(trifluoromethyl)benzoate (CAS 26107-80-2), with molecular formula C10H6F6O2 and molecular weight 272.03 g/mol. IUPAC: methyl 3,5-bis(trifluoromethyl)benzoate.
Chemical Property Profile of Methyl 3,5-bis(trifluoromethyl)benzoate
Property Insights of Methyl 3,5-bis(trifluoromethyl)benzoate
The XLogP value of 3.5 indicates that Methyl 3,5-bis(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 3,5-bis(trifluoromethyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3,5-bis(trifluoromethyl)benzoate has 0 hydrogen bond donor(s) and 8 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 Methyl 3,5-bis(trifluoromethyl)benzoate?
The CAS number of Methyl 3,5-bis(trifluoromethyl)benzoate is 26107-80-2.
What is the molecular formula of Methyl 3,5-bis(trifluoromethyl)benzoate?
The molecular formula of Methyl 3,5-bis(trifluoromethyl)benzoate is C10H6F6O2.
What is the molecular weight of Methyl 3,5-bis(trifluoromethyl)benzoate?
The molecular weight of Methyl 3,5-bis(trifluoromethyl)benzoate is 272.03 g/mol.
Where can I buy Methyl 3,5-bis(trifluoromethyl)benzoate?
You can request a quote for Methyl 3,5-bis(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 3,5-bis(trifluoromethyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,5-bis(trifluoromethyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.