氟对苯二甲酸
TL;DR: 氟对苯二甲酸 (CAS 3906-87-4) is a chemical compound with molecular formula C8H5FO4 and molecular weight 184.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氟对苯二甲酸
2-fluoroterephthalic acid
Also Known As: 2-Fluoroterephthalic acid, 2-Fluoroterephthalicacid, fluoroterephthalic acid, BDC-F, Maybridge3_004751
| Molecular Formula | C8H5FO4 |
|---|---|
| Molecular Weight | 184.02 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.01718 |
| Heavy Atoms | 13 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 3906-87-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)F)C(=O)O |
| InChIKey | YUWKPDBHJFNMAD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氟对苯二甲酸 (CAS 3906-87-4), with molecular formula C8H5FO4 and molecular weight 184.02 g/mol. IUPAC: 2-fluoroterephthalic acid.
Chemical Property Profile of 氟对苯二甲酸
Property Insights of 氟对苯二甲酸
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氟对苯二甲酸. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 氟对苯二甲酸. Following Lipinski's Rule of Five, 氟对苯二甲酸 has 2 hydrogen bond donor(s) and 5 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 氟对苯二甲酸?
The CAS number of 氟对苯二甲酸 is 3906-87-4.
What is the molecular formula of 氟对苯二甲酸?
The molecular formula of 氟对苯二甲酸 is C8H5FO4.
What is the molecular weight of 氟对苯二甲酸?
The molecular weight of 氟对苯二甲酸 is 184.02 g/mol.
Where can I buy 氟对苯二甲酸?
You can request a quote for 氟对苯二甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氟对苯二甲酸?
Yes, KEHONG BIO provides custom synthesis services for 氟对苯二甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.