4-Chloro-2,3,6-trifluorophenylacetic acid
TL;DR: 4-Chloro-2,3,6-trifluorophenylacetic acid (CAS 537033-63-9) is a chemical compound with molecular formula C8H4ClF3O2 and molecular weight 223.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloro-2,3,6-trifluorophenyl)acetic acid
Also Known As: 4-Chloro-2,3,6-trifluorophenylacetic acid, 2-(4-chloro-2,3,6-trifluorophenyl)acetic acid, (4-chloro-2,3,6-trifluorophenyl)acetic acid, Benzeneacetic acid, 4-chloro-2,3,6-trifluoro-, 4-Chloro-2,3,6-trifluorobenzeneacetic acid
| Molecular Formula | C8H4ClF3O2 |
|---|---|
| Molecular Weight | 223.99 g/mol |
| LogP | 2.3844 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.9852 |
| Heavy Atoms | 14 |
| Complexity | 392.66306 |
Chemical Identifiers
| CAS Number | 537033-63-9 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1Cl)F)F)CC(=O)O)F |
Product Overview
4-Chloro-2,3,6-trifluorophenylacetic acid (CAS 537033-63-9), with molecular formula C8H4ClF3O2 and molecular weight 223.99 g/mol. IUPAC: 2-(4-chloro-2,3,6-trifluorophenyl)acetic acid.
Chemical Property Profile of 4-Chloro-2,3,6-trifluorophenylacetic acid
Property Insights of 4-Chloro-2,3,6-trifluorophenylacetic acid
The XLogP value of 2.3844 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2,3,6-trifluorophenylacetic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Chloro-2,3,6-trifluorophenylacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2,3,6-trifluorophenylacetic acid has 1 hydrogen bond donor(s) and 1 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 4-Chloro-2,3,6-trifluorophenylacetic acid?
The CAS number of 4-Chloro-2,3,6-trifluorophenylacetic acid is 537033-63-9.
What is the molecular formula of 4-Chloro-2,3,6-trifluorophenylacetic acid?
The molecular formula of 4-Chloro-2,3,6-trifluorophenylacetic acid is C8H4ClF3O2.
What is the molecular weight of 4-Chloro-2,3,6-trifluorophenylacetic acid?
The molecular weight of 4-Chloro-2,3,6-trifluorophenylacetic acid is 223.99 g/mol.
Where can I buy 4-Chloro-2,3,6-trifluorophenylacetic acid?
You can request a quote for 4-Chloro-2,3,6-trifluorophenylacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2,3,6-trifluorophenylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2,3,6-trifluorophenylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.