2-Methyl-5-nitrofuran-3-carboxylic acid
TL;DR: 2-Methyl-5-nitrofuran-3-carboxylic acid (CAS 129423-27-4) is a chemical compound with molecular formula C6H5NO5 and molecular weight 171.01677 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-5-nitrofuran-3-carboxylic acid
Also Known As: 2-methyl-5-nitrofuran-3-carboxylic acid, 2-methyl-5-nitro-furan-3-carboxylic acid, 2-Methyl-5-nitro-furan-3-carbonsaeure, 2-methyl-5-nitrofuran-3-carboxylicacid, 2-methyl-5-nitro-3-furancarboxylic acid
Technical Specifications
| Molecular Formula | C6H5NO5 |
| Molecular Weight | 171.01677 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 96.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 171.01677 Da |
| Heavy Atoms | 12 |
| Complexity | 210.0 |
| SMILES | CC1=C(C=C(O1)[N+](=O)[O-])C(=O)O |
| InChIKey | NXPDJCKSBLMJII-UHFFFAOYSA-N |
Chemical Property Profile of 2-Methyl-5-nitrofuran-3-carboxylic acid
Property Insights of 2-Methyl-5-nitrofuran-3-carboxylic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-5-nitrofuran-3-carboxylic acid. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-5-nitrofuran-3-carboxylic acid. Following Lipinski's Rule of Five, 2-Methyl-5-nitrofuran-3-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
What is the CAS number of 2-Methyl-5-nitrofuran-3-carboxylic acid?
The CAS number of 2-Methyl-5-nitrofuran-3-carboxylic acid is 129423-27-4.
What is the molecular formula of 2-Methyl-5-nitrofuran-3-carboxylic acid?
The molecular formula of 2-Methyl-5-nitrofuran-3-carboxylic acid is C6H5NO5.
What is the molecular weight of 2-Methyl-5-nitrofuran-3-carboxylic acid?
The molecular weight of 2-Methyl-5-nitrofuran-3-carboxylic acid is 171.01677 g/mol.
Where can I buy 2-Methyl-5-nitrofuran-3-carboxylic acid?
You can request a quote for 2-Methyl-5-nitrofuran-3-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methyl-5-nitrofuran-3-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 2-Methyl-5-nitrofuran-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.