5-(4-Chloro-2-nitrophenyl)-2-furoic acid
TL;DR: 5-(4-Chloro-2-nitrophenyl)-2-furoic acid (CAS 95611-88-4) is a chemical compound with molecular formula C11H6ClNO5 and molecular weight 266.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chloro-2-nitrophenyl)furan-2-carboxylic acid
Also Known As: 5-(4-Chloro-2-nitrophenyl)-2-furoic acid, 5-(4-chloro-2-nitrophenyl)furan-2-carboxylic acid, 5-(4-chloro-2-nitro-phenyl)furan-2-carboxylic Acid, 4349AF, 5-(4-Chloro-2-nitrophenyl)-2-furancarboxylic acid
| Molecular Formula | C11H6ClNO5 |
|---|---|
| Molecular Weight | 266.99 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.99344 |
| Heavy Atoms | 18 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 95611-88-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)[N+](=O)[O-])C2=CC=C(O2)C(=O)O |
| InChIKey | CLKWMKZOQGSSJH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(4-Chloro-2-nitrophenyl)-2-furoic acid (CAS 95611-88-4), with molecular formula C11H6ClNO5 and molecular weight 266.99 g/mol. IUPAC: 5-(4-chloro-2-nitrophenyl)furan-2-carboxylic acid.
Chemical Property Profile of 5-(4-Chloro-2-nitrophenyl)-2-furoic acid
Property Insights of 5-(4-Chloro-2-nitrophenyl)-2-furoic acid
The XLogP value of 3.0 indicates that 5-(4-Chloro-2-nitrophenyl)-2-furoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Chloro-2-nitrophenyl)-2-furoic acid. Following Lipinski's Rule of Five, 5-(4-Chloro-2-nitrophenyl)-2-furoic acid has 1 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 5-(4-Chloro-2-nitrophenyl)-2-furoic acid?
The CAS number of 5-(4-Chloro-2-nitrophenyl)-2-furoic acid is 95611-88-4.
What is the molecular formula of 5-(4-Chloro-2-nitrophenyl)-2-furoic acid?
The molecular formula of 5-(4-Chloro-2-nitrophenyl)-2-furoic acid is C11H6ClNO5.
What is the molecular weight of 5-(4-Chloro-2-nitrophenyl)-2-furoic acid?
The molecular weight of 5-(4-Chloro-2-nitrophenyl)-2-furoic acid is 266.99 g/mol.
Where can I buy 5-(4-Chloro-2-nitrophenyl)-2-furoic acid?
You can request a quote for 5-(4-Chloro-2-nitrophenyl)-2-furoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Chloro-2-nitrophenyl)-2-furoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Chloro-2-nitrophenyl)-2-furoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.