4-Fluorobenzene-1,3-dicarboxylic acid
TL;DR: 4-Fluorobenzene-1,3-dicarboxylic acid (CAS 37697-65-7) 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.
4-fluorobenzene-1,3-dicarboxylic acid
Also Known As: 4-Fluoroisophthalic acid, 4-fluorobenzene-1,3-dicarboxylic acid, 4-Fluoroisophthalicacid, 4-fluoro-isophthalic acid, Isophthalicacid,4-fluoro-
| Molecular Formula | C8H5FO4 |
|---|---|
| Molecular Weight | 184.02 g/mol |
| LogP | 1.3 |
| 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 | 37697-65-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)C(=O)O)F |
| InChIKey | OPWLKVOLSUNGEI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Fluorobenzene-1,3-dicarboxylic acid (CAS 37697-65-7), with molecular formula C8H5FO4 and molecular weight 184.02 g/mol. IUPAC: 4-fluorobenzene-1,3-dicarboxylic acid.
Chemical Property Profile of 4-Fluorobenzene-1,3-dicarboxylic acid
Property Insights of 4-Fluorobenzene-1,3-dicarboxylic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluorobenzene-1,3-dicarboxylic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Fluorobenzene-1,3-dicarboxylic acid. Following Lipinski's Rule of Five, 4-Fluorobenzene-1,3-dicarboxylic acid 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 4-Fluorobenzene-1,3-dicarboxylic acid?
The CAS number of 4-Fluorobenzene-1,3-dicarboxylic acid is 37697-65-7.
What is the molecular formula of 4-Fluorobenzene-1,3-dicarboxylic acid?
The molecular formula of 4-Fluorobenzene-1,3-dicarboxylic acid is C8H5FO4.
What is the molecular weight of 4-Fluorobenzene-1,3-dicarboxylic acid?
The molecular weight of 4-Fluorobenzene-1,3-dicarboxylic acid is 184.02 g/mol.
Where can I buy 4-Fluorobenzene-1,3-dicarboxylic acid?
You can request a quote for 4-Fluorobenzene-1,3-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluorobenzene-1,3-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluorobenzene-1,3-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.