3,4,5,6-四氟邻苯二甲酸
TL;DR: 3,4,5,6-四氟邻苯二甲酸 (CAS 652-03-9) is a chemical compound with molecular formula C8H2F4O4 and molecular weight 237.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5,6-四氟邻苯二甲酸
3,4,5,6-tetrafluorophthalic acid
Also Known As: Tetrafluorophthalic acid, 3,4,5,6-Tetrafluorophthalic acid, Chrysene-D12, TetrafluorophthalicAcid, 3-Fluorobenzotrifluoride
| Molecular Formula | C8H2F4O4 |
|---|---|
| Molecular Weight | 237.99 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.98892 |
| Heavy Atoms | 16 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 652-03-9 |
|---|---|
| SMILES | C1(=C(C(=C(C(=C1F)F)F)F)C(=O)O)C(=O)O |
| InChIKey | YJLVXRPNNDKMMO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4,5,6-四氟邻苯二甲酸 (CAS 652-03-9), with molecular formula C8H2F4O4 and molecular weight 237.99 g/mol. IUPAC: 3,4,5,6-tetrafluorophthalic acid.
Chemical Property Profile of 3,4,5,6-四氟邻苯二甲酸
Property Insights of 3,4,5,6-四氟邻苯二甲酸
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,5,6-四氟邻苯二甲酸. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4,5,6-四氟邻苯二甲酸. Following Lipinski's Rule of Five, 3,4,5,6-四氟邻苯二甲酸 has 2 hydrogen bond donor(s) and 8 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 3,4,5,6-四氟邻苯二甲酸?
The CAS number of 3,4,5,6-四氟邻苯二甲酸 is 652-03-9.
What is the molecular formula of 3,4,5,6-四氟邻苯二甲酸?
The molecular formula of 3,4,5,6-四氟邻苯二甲酸 is C8H2F4O4.
What is the molecular weight of 3,4,5,6-四氟邻苯二甲酸?
The molecular weight of 3,4,5,6-四氟邻苯二甲酸 is 237.99 g/mol.
Where can I buy 3,4,5,6-四氟邻苯二甲酸?
You can request a quote for 3,4,5,6-四氟邻苯二甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,5,6-四氟邻苯二甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5,6-四氟邻苯二甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.