五氟苯甲酸
TL;DR: 五氟苯甲酸 (CAS 602-94-8) is a chemical compound with molecular formula C7HF5O2 and molecular weight 211.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
五氟苯甲酸
2,3,4,5,6-pentafluorobenzoic acid
Also Known As: Pentafluorobenzoic acid, 2,3,4,5,6-Pentafluorobenzoic acid, Perfluorobenzoic acid, BENZOIC ACID, PENTAFLUORO-, Pentafluorobenzoic acid 1kg
| Molecular Formula | C7HF5O2 |
|---|---|
| Molecular Weight | 211.99 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 211.98967 |
| Heavy Atoms | 14 |
| Complexity | 220.0 |
| Boiling Point | 220 °C @760 [mm Hg] |
Chemical Identifiers
| CAS Number | 602-94-8 |
|---|---|
| SMILES | C1(=C(C(=C(C(=C1F)F)F)F)F)C(=O)O |
| InChIKey | YZERDTREOUSUHF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
五氟苯甲酸 (CAS 602-94-8), with molecular formula C7HF5O2 and molecular weight 211.99 g/mol. IUPAC: 2,3,4,5,6-pentafluorobenzoic acid.
Chemical Property Profile of 五氟苯甲酸
Property Insights of 五氟苯甲酸
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 五氟苯甲酸. With a topological polar surface area (TPSA) of 37.3 Ų, 五氟苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 五氟苯甲酸 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 五氟苯甲酸?
The CAS number of 五氟苯甲酸 is 602-94-8.
What is the molecular formula of 五氟苯甲酸?
The molecular formula of 五氟苯甲酸 is C7HF5O2.
What is the molecular weight of 五氟苯甲酸?
The molecular weight of 五氟苯甲酸 is 211.99 g/mol.
Where can I buy 五氟苯甲酸?
You can request a quote for 五氟苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 五氟苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 五氟苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.