Benzoic acid, 2,3,4-trifluoro-, ethyl ester
TL;DR: Benzoic acid, 2,3,4-trifluoro-, ethyl ester (CAS 351354-50-2) is a chemical compound with molecular formula C9H7F3O2 and molecular weight 204.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,3,4-trifluorobenzoate
Also Known As: Ethyl 2,3,4-trifluorobenzoate, Ethyl2,3,4-trifluorobenzoate, Ethyl 2,3,4-trifluorobenzoate #, Benzoic acid, 2,3,4-trifluoro-, ethyl ester, 2,3,4-Trifluorobenzoic acid ethyl ester
| Molecular Formula | C9H7F3O2 |
|---|---|
| Molecular Weight | 204.04 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.03981 |
| Heavy Atoms | 14 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 351354-50-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(C=C1)F)F)F |
| InChIKey | MLANUBGYWOMWLZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 2,3,4-trifluoro-, ethyl ester (CAS 351354-50-2), with molecular formula C9H7F3O2 and molecular weight 204.04 g/mol. IUPAC: ethyl 2,3,4-trifluorobenzoate.
Chemical Property Profile of Benzoic acid, 2,3,4-trifluoro-, ethyl ester
Property Insights of Benzoic acid, 2,3,4-trifluoro-, ethyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2,3,4-trifluoro-, ethyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Benzoic acid, 2,3,4-trifluoro-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2,3,4-trifluoro-, ethyl ester has 0 hydrogen bond donor(s) and 5 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 Benzoic acid, 2,3,4-trifluoro-, ethyl ester?
The CAS number of Benzoic acid, 2,3,4-trifluoro-, ethyl ester is 351354-50-2.
What is the molecular formula of Benzoic acid, 2,3,4-trifluoro-, ethyl ester?
The molecular formula of Benzoic acid, 2,3,4-trifluoro-, ethyl ester is C9H7F3O2.
What is the molecular weight of Benzoic acid, 2,3,4-trifluoro-, ethyl ester?
The molecular weight of Benzoic acid, 2,3,4-trifluoro-, ethyl ester is 204.04 g/mol.
Where can I buy Benzoic acid, 2,3,4-trifluoro-, ethyl ester?
You can request a quote for Benzoic acid, 2,3,4-trifluoro-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2,3,4-trifluoro-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2,3,4-trifluoro-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.