Benzoic acid, 4-nitro-, pentyl ester
TL;DR: Benzoic acid, 4-nitro-, pentyl ester (CAS 14309-42-3) is a chemical compound with molecular formula C12H15NO4 and molecular weight 237.10011 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
pentyl 4-nitrobenzoate
Also Known As: Pentyl 4-nitrobenzoate, Amyl p-nitrobenzoate, Benzoic acid, 4-nitro-, pentyl ester, Pentyl 4-nitrobenzoate #, 4-Nitrobenzoic acid pentyl ester
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H15NO4 |
| Molecular Weight | 237.10011 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 237.10011 Da |
| Heavy Atoms | 17 |
| Complexity | 254.0 |
| SMILES | CCCCCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | BFKGHSXQYBELBN-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 4-nitro-, pentyl ester
Property Insights of Benzoic acid, 4-nitro-, pentyl ester
The XLogP value of 4.0 indicates that Benzoic acid, 4-nitro-, pentyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-nitro-, pentyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-nitro-, pentyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzoic acid, 4-nitro-, pentyl ester?
The CAS number of Benzoic acid, 4-nitro-, pentyl ester is 14309-42-3.
What is the molecular formula of Benzoic acid, 4-nitro-, pentyl ester?
The molecular formula of Benzoic acid, 4-nitro-, pentyl ester is C12H15NO4.
What is the molecular weight of Benzoic acid, 4-nitro-, pentyl ester?
The molecular weight of Benzoic acid, 4-nitro-, pentyl ester is 237.10011 g/mol.
Where can I buy Benzoic acid, 4-nitro-, pentyl ester?
You can request a quote for Benzoic acid, 4-nitro-, pentyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 4-nitro-, pentyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 4-nitro-, pentyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.