3,4-Dichlorofuran-2-carboxylic acid
TL;DR: 3,4-Dichlorofuran-2-carboxylic acid (CAS 89680-15-9) is a chemical compound with molecular formula C5H2Cl2O3 and molecular weight 179.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dichlorofuran-2-carboxylic acid
Also Known As: 3,4-dichlorofuran-2-carboxylic acid, 3,4-dichloro-2-furoic acid, 2-Furoic acid,4-dichloro-, 2-Furoic acid, 3, 4-dichloro-, 2-Furancarboxylic acid,4-dichloro-
| Molecular Formula | C5H2Cl2O3 |
|---|---|
| Molecular Weight | 179.94 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.9381 |
| Heavy Atoms | 10 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 89680-15-9 |
|---|---|
| SMILES | C1=C(C(=C(O1)C(=O)O)Cl)Cl |
| InChIKey | UIBLWJMAOKDSRF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dichlorofuran-2-carboxylic acid (CAS 89680-15-9), with molecular formula C5H2Cl2O3 and molecular weight 179.94 g/mol. IUPAC: 3,4-dichlorofuran-2-carboxylic acid.
Chemical Property Profile of 3,4-Dichlorofuran-2-carboxylic acid
Property Insights of 3,4-Dichlorofuran-2-carboxylic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dichlorofuran-2-carboxylic acid. With a topological polar surface area (TPSA) of 50.4 Ų, 3,4-Dichlorofuran-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dichlorofuran-2-carboxylic acid has 1 hydrogen bond donor(s) and 3 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-Dichlorofuran-2-carboxylic acid?
The CAS number of 3,4-Dichlorofuran-2-carboxylic acid is 89680-15-9.
What is the molecular formula of 3,4-Dichlorofuran-2-carboxylic acid?
The molecular formula of 3,4-Dichlorofuran-2-carboxylic acid is C5H2Cl2O3.
What is the molecular weight of 3,4-Dichlorofuran-2-carboxylic acid?
The molecular weight of 3,4-Dichlorofuran-2-carboxylic acid is 179.94 g/mol.
Where can I buy 3,4-Dichlorofuran-2-carboxylic acid?
You can request a quote for 3,4-Dichlorofuran-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dichlorofuran-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dichlorofuran-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.