5-(4-Methyl-2-nitrophenyl)furan-2-carboxylic acid
TL;DR: 5-(4-Methyl-2-nitrophenyl)furan-2-carboxylic acid (CAS 55377-91-8) is a chemical compound with molecular formula C12H9NO5 and molecular weight 247.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methyl-2-nitrophenyl)furan-2-carboxylic acid
Also Known As: 5-(4-methyl-2-nitrophenyl)furan-2-carboxylic acid, 5- -furan-2-carboxylicacid, 5-(4-Methyl-2-nitrophenyl)-2-furoic acid, 5-(4-methyl-2-nitro-phenyl)furan-2-carboxylic Acid, BB 0245085
| Molecular Formula | C12H9NO5 |
|---|---|
| Molecular Weight | 247.05 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.04807 |
| Heavy Atoms | 18 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 55377-91-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C2=CC=C(O2)C(=O)O)[N+](=O)[O-] |
| InChIKey | UNSSRIPGQQOYLI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(4-Methyl-2-nitrophenyl)furan-2-carboxylic acid (CAS 55377-91-8), with molecular formula C12H9NO5 and molecular weight 247.05 g/mol. IUPAC: 5-(4-methyl-2-nitrophenyl)furan-2-carboxylic acid.
Chemical Property Profile of 5-(4-Methyl-2-nitrophenyl)furan-2-carboxylic acid
Property Insights of 5-(4-Methyl-2-nitrophenyl)furan-2-carboxylic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Methyl-2-nitrophenyl)furan-2-carboxylic acid. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Methyl-2-nitrophenyl)furan-2-carboxylic acid. Following Lipinski's Rule of Five, 5-(4-Methyl-2-nitrophenyl)furan-2-carboxylic 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-Methyl-2-nitrophenyl)furan-2-carboxylic acid?
The CAS number of 5-(4-Methyl-2-nitrophenyl)furan-2-carboxylic acid is 55377-91-8.
What is the molecular formula of 5-(4-Methyl-2-nitrophenyl)furan-2-carboxylic acid?
The molecular formula of 5-(4-Methyl-2-nitrophenyl)furan-2-carboxylic acid is C12H9NO5.
What is the molecular weight of 5-(4-Methyl-2-nitrophenyl)furan-2-carboxylic acid?
The molecular weight of 5-(4-Methyl-2-nitrophenyl)furan-2-carboxylic acid is 247.05 g/mol.
Where can I buy 5-(4-Methyl-2-nitrophenyl)furan-2-carboxylic acid?
You can request a quote for 5-(4-Methyl-2-nitrophenyl)furan-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 5-(4-Methyl-2-nitrophenyl)furan-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Methyl-2-nitrophenyl)furan-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.