2-Furanpropanoic acid, 5-nitro-
TL;DR: 2-Furanpropanoic acid, 5-nitro- (CAS 4650-72-0) is a chemical compound with molecular formula C7H7NO5 and molecular weight 185.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-nitrofuran-2-yl)propanoic acid
Also Known As: 5-Nitro-2-furanpropanoic acid, 2-Furanpropanoic acid, 5-nitro-, 3-(5-nitrofuran-2-yl)propanoic acid, 3-(5-nitro-2-furyl)propanoic acid, 3-(5-nitro-furan-2-yl)-propionic acid
| Molecular Formula | C7H7NO5 |
|---|---|
| Molecular Weight | 185.03 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 185.03242 |
| Heavy Atoms | 13 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 4650-72-0 |
|---|---|
| SMILES | C1=C(OC(=C1)[N+](=O)[O-])CCC(=O)O |
| InChIKey | YOYKRMULSQTSIS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Furanpropanoic acid, 5-nitro- (CAS 4650-72-0), with molecular formula C7H7NO5 and molecular weight 185.03 g/mol. IUPAC: 3-(5-nitrofuran-2-yl)propanoic acid.
Chemical Property Profile of 2-Furanpropanoic acid, 5-nitro-
Property Insights of 2-Furanpropanoic acid, 5-nitro-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Furanpropanoic acid, 5-nitro-. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Furanpropanoic acid, 5-nitro-. Following Lipinski's Rule of Five, 2-Furanpropanoic acid, 5-nitro- 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 2-Furanpropanoic acid, 5-nitro-?
The CAS number of 2-Furanpropanoic acid, 5-nitro- is 4650-72-0.
What is the molecular formula of 2-Furanpropanoic acid, 5-nitro-?
The molecular formula of 2-Furanpropanoic acid, 5-nitro- is C7H7NO5.
What is the molecular weight of 2-Furanpropanoic acid, 5-nitro-?
The molecular weight of 2-Furanpropanoic acid, 5-nitro- is 185.03 g/mol.
Where can I buy 2-Furanpropanoic acid, 5-nitro-?
You can request a quote for 2-Furanpropanoic acid, 5-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Furanpropanoic acid, 5-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 2-Furanpropanoic acid, 5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.