Methyl 2-hydroxy-4-(trifluoromethyl)benzoate
TL;DR: Methyl 2-hydroxy-4-(trifluoromethyl)benzoate (CAS 345-28-8) 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 2-hydroxy-4-(trifluoromethyl)benzoate
Also Known As: methyl 2-hydroxy-4-(trifluoromethyl)benzoate, H-Leu-Trp-OH, starbld0019670, RARECHEM AL BF 1424, Benzoic acid,2-hydroxy-4-(trifluoromethyl)-, methyl ester
| Molecular Formula | C9H7F3O3 |
|---|---|
| Molecular Weight | 220.03 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.03473 |
| Heavy Atoms | 15 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 345-28-8 |
|---|---|
| SMILES | COC(=O)C1=C(C=C(C=C1)C(F)(F)F)O |
| InChIKey | IRELIHAAUCMEDQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-hydroxy-4-(trifluoromethyl)benzoate (CAS 345-28-8), with molecular formula C9H7F3O3 and molecular weight 220.03 g/mol. IUPAC: methyl 2-hydroxy-4-(trifluoromethyl)benzoate.
Chemical Property Profile of Methyl 2-hydroxy-4-(trifluoromethyl)benzoate
Property Insights of Methyl 2-hydroxy-4-(trifluoromethyl)benzoate
The XLogP value of 3.2 indicates that Methyl 2-hydroxy-4-(trifluoromethyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Methyl 2-hydroxy-4-(trifluoromethyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-hydroxy-4-(trifluoromethyl)benzoate has 1 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 Methyl 2-hydroxy-4-(trifluoromethyl)benzoate?
The CAS number of Methyl 2-hydroxy-4-(trifluoromethyl)benzoate is 345-28-8.
What is the molecular formula of Methyl 2-hydroxy-4-(trifluoromethyl)benzoate?
The molecular formula of Methyl 2-hydroxy-4-(trifluoromethyl)benzoate is C9H7F3O3.
What is the molecular weight of Methyl 2-hydroxy-4-(trifluoromethyl)benzoate?
The molecular weight of Methyl 2-hydroxy-4-(trifluoromethyl)benzoate is 220.03 g/mol.
Where can I buy Methyl 2-hydroxy-4-(trifluoromethyl)benzoate?
You can request a quote for Methyl 2-hydroxy-4-(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 2-hydroxy-4-(trifluoromethyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-hydroxy-4-(trifluoromethyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.