4-Hydroxyphenyl 4-nitrobenzoate
TL;DR: 4-Hydroxyphenyl 4-nitrobenzoate (CAS 1540-37-0) is a chemical compound with molecular formula C13H9NO5 and molecular weight 259.04807 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-hydroxyphenyl) 4-nitrobenzoate
Also Known As: 4-HYDROXYPHENYL 4-NITROBENZOATE, (4-hydroxyphenyl) 4-nitrobenzoate, 4-hydroxyphenyl-4-nitrobenzoat, p-Hydroxyphenyl-p-nitrobenzoat, 4-Hydroxyphenyl4-nitrobenzoate
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H9NO5 |
| Molecular Weight | 259.04807 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.04807 Da |
| Heavy Atoms | 19 |
| Complexity | 324.0 |
| SMILES | C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)O)[N+](=O)[O-] |
| InChIKey | OOKOBCBLUCPMQB-UHFFFAOYSA-N |
Chemical Property Profile of 4-Hydroxyphenyl 4-nitrobenzoate
Property Insights of 4-Hydroxyphenyl 4-nitrobenzoate
The XLogP value of 3.1 indicates that 4-Hydroxyphenyl 4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxyphenyl 4-nitrobenzoate. Following Lipinski's Rule of Five, 4-Hydroxyphenyl 4-nitrobenzoate 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 4-Hydroxyphenyl 4-nitrobenzoate?
The CAS number of 4-Hydroxyphenyl 4-nitrobenzoate is 1540-37-0.
What is the molecular formula of 4-Hydroxyphenyl 4-nitrobenzoate?
The molecular formula of 4-Hydroxyphenyl 4-nitrobenzoate is C13H9NO5.
What is the molecular weight of 4-Hydroxyphenyl 4-nitrobenzoate?
The molecular weight of 4-Hydroxyphenyl 4-nitrobenzoate is 259.04807 g/mol.
Where can I buy 4-Hydroxyphenyl 4-nitrobenzoate?
You can request a quote for 4-Hydroxyphenyl 4-nitrobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Hydroxyphenyl 4-nitrobenzoate?
Yes, CoreyChem provides custom synthesis services for 4-Hydroxyphenyl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.