5-Nitro-2-furanacrylic acid, pentyl ester
TL;DR: 5-Nitro-2-furanacrylic acid, pentyl ester (CAS 91642-47-6) is a chemical compound with molecular formula C12H15NO5 and molecular weight 253.09502 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
pentyl 3-(5-nitrofuran-2-yl)prop-2-enoate
Also Known As: 5-Nitro-2-furanacrylic acid, pentyl ester, 5-Nitro-2-furylacrylic acid, pentyl ester, pentyl 3-(5-nitrofuran-2-yl)prop-2-enoate, 5-Nitro-2-furylacrylic acid,pentyl ester, pentyl 3-(5-nitro-2-furyl)prop-2-enoate
Technical Specifications
| Molecular Formula | C12H15NO5 |
| Molecular Weight | 253.09502 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 85.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 253.09502 Da |
| Heavy Atoms | 18 |
| Complexity | 310.0 |
| SMILES | CCCCCOC(=O)C=CC1=CC=C(O1)[N+](=O)[O-] |
| InChIKey | RSYSOIMXRBSJQJ-UHFFFAOYSA-N |
Chemical Property Profile of 5-Nitro-2-furanacrylic acid, pentyl ester
Property Insights of 5-Nitro-2-furanacrylic acid, pentyl ester
The XLogP value of 3.4 indicates that 5-Nitro-2-furanacrylic acid, pentyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitro-2-furanacrylic acid, pentyl ester. Following Lipinski's Rule of Five, 5-Nitro-2-furanacrylic acid, pentyl ester has 0 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 5-Nitro-2-furanacrylic acid, pentyl ester?
The CAS number of 5-Nitro-2-furanacrylic acid, pentyl ester is 91642-47-6.
What is the molecular formula of 5-Nitro-2-furanacrylic acid, pentyl ester?
The molecular formula of 5-Nitro-2-furanacrylic acid, pentyl ester is C12H15NO5.
What is the molecular weight of 5-Nitro-2-furanacrylic acid, pentyl ester?
The molecular weight of 5-Nitro-2-furanacrylic acid, pentyl ester is 253.09502 g/mol.
Where can I buy 5-Nitro-2-furanacrylic acid, pentyl ester?
You can request a quote for 5-Nitro-2-furanacrylic acid, pentyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Nitro-2-furanacrylic acid, pentyl ester?
Yes, CoreyChem provides custom synthesis services for 5-Nitro-2-furanacrylic acid, pentyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.