(五氟苯基)乙酸
TL;DR: (五氟苯基)乙酸 (CAS 653-21-4) is a chemical compound with molecular formula C8H3F5O2 and molecular weight 226.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(五氟苯基)乙酸
2-(2,3,4,5,6-pentafluorophenyl)acetic acid
Also Known As: Pentafluorophenylacetic acid, 2-(Perfluorophenyl)acetic acid, 2,3,4,5,6-Pentafluorophenylacetic acid, (Pentafluorophenyl)acetic acid, 2,5-Dichloropyrazine
| Molecular Formula | C8H3F5O2 |
|---|---|
| Molecular Weight | 226.01 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.00533 |
| Heavy Atoms | 15 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 653-21-4 |
|---|---|
| SMILES | C(C1=C(C(=C(C(=C1F)F)F)F)F)C(=O)O |
| InChIKey | LGCODSNZJOVMHV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(五氟苯基)乙酸 (CAS 653-21-4), with molecular formula C8H3F5O2 and molecular weight 226.01 g/mol. IUPAC: 2-(2,3,4,5,6-pentafluorophenyl)acetic acid.
Chemical Property Profile of (五氟苯基)乙酸
Property Insights of (五氟苯基)乙酸
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (五氟苯基)乙酸. With a topological polar surface area (TPSA) of 37.3 Ų, (五氟苯基)乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (五氟苯基)乙酸 has 1 hydrogen bond donor(s) and 7 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 (五氟苯基)乙酸?
The CAS number of (五氟苯基)乙酸 is 653-21-4.
What is the molecular formula of (五氟苯基)乙酸?
The molecular formula of (五氟苯基)乙酸 is C8H3F5O2.
What is the molecular weight of (五氟苯基)乙酸?
The molecular weight of (五氟苯基)乙酸 is 226.01 g/mol.
Where can I buy (五氟苯基)乙酸?
You can request a quote for (五氟苯基)乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (五氟苯基)乙酸?
Yes, KEHONG BIO provides custom synthesis services for (五氟苯基)乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.