3-Chloro-2,4,5-trifluorobenzoate
TL;DR: 3-Chloro-2,4,5-trifluorobenzoate (CAS 101513-77-3) is a chemical compound with molecular formula C7HClF3O2- and molecular weight 208.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-2,4,5-trifluorobenzoate
Also Known As: 3-Chloro-2,4,5-trifluorobenzoic acid, 3-Chloro-2,4,5-Trilfuorobenzoic acid
| Molecular Formula | C7HClF3O2- |
|---|---|
| Molecular Weight | 208.96 g/mol |
| LogP | 1.1208 |
| Topological Polar Surface Area | 40.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.96172 |
| Heavy Atoms | 13 |
| Complexity | 378.49066 |
Chemical Identifiers
| CAS Number | 101513-77-3 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1F)F)Cl)F)C(=O)[O-] |
Product Overview
3-Chloro-2,4,5-trifluorobenzoate (CAS 101513-77-3), with molecular formula C7HClF3O2- and molecular weight 208.96 g/mol. IUPAC: 3-chloro-2,4,5-trifluorobenzoate.
Chemical Property Profile of 3-Chloro-2,4,5-trifluorobenzoate
Property Insights of 3-Chloro-2,4,5-trifluorobenzoate
The XLogP value of 1.1208 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-2,4,5-trifluorobenzoate. With a topological polar surface area (TPSA) of 40.13 Ų, 3-Chloro-2,4,5-trifluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-2,4,5-trifluorobenzoate has 0 hydrogen bond donor(s) and 2 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 3-Chloro-2,4,5-trifluorobenzoate?
The CAS number of 3-Chloro-2,4,5-trifluorobenzoate is 101513-77-3.
What is the molecular formula of 3-Chloro-2,4,5-trifluorobenzoate?
The molecular formula of 3-Chloro-2,4,5-trifluorobenzoate is C7HClF3O2-.
What is the molecular weight of 3-Chloro-2,4,5-trifluorobenzoate?
The molecular weight of 3-Chloro-2,4,5-trifluorobenzoate is 208.96 g/mol.
Where can I buy 3-Chloro-2,4,5-trifluorobenzoate?
You can request a quote for 3-Chloro-2,4,5-trifluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-2,4,5-trifluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-2,4,5-trifluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.