2-Hydroxyphenyl 4-nitrobenzoate
TL;DR: 2-Hydroxyphenyl 4-nitrobenzoate (CAS 5876-95-9) is a chemical compound with molecular formula C13H9NO5 and molecular weight 259.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-hydroxyphenyl) 4-nitrobenzoate
Also Known As: Phenol-p-nitrobenzoat, 2-hydroxyphenyl 4-nitrobenzoate, (2-hydroxyphenyl) 4-nitrobenzoate, 1,2-Benzenediol, O-(4-nitrobenzoyl)-, AL-398/12677079
| Molecular Formula | C13H9NO5 |
|---|---|
| Molecular Weight | 259.05 g/mol |
| LogP | 2.5196 |
| Topological Polar Surface Area | 89.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.04807 |
| Heavy Atoms | 19 |
| Complexity | 621.1856 |
Chemical Identifiers
| CAS Number | 5876-95-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)O)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
2-Hydroxyphenyl 4-nitrobenzoate (CAS 5876-95-9), with molecular formula C13H9NO5 and molecular weight 259.05 g/mol. IUPAC: (2-hydroxyphenyl) 4-nitrobenzoate.
Chemical Property Profile of 2-Hydroxyphenyl 4-nitrobenzoate
Property Insights of 2-Hydroxyphenyl 4-nitrobenzoate
The XLogP value of 2.5196 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxyphenyl 4-nitrobenzoate. The TPSA of 89.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hydroxyphenyl 4-nitrobenzoate. Following Lipinski's Rule of Five, 2-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
Frequently Asked Questions
What is the CAS number of 2-Hydroxyphenyl 4-nitrobenzoate?
The CAS number of 2-Hydroxyphenyl 4-nitrobenzoate is 5876-95-9.
What is the molecular formula of 2-Hydroxyphenyl 4-nitrobenzoate?
The molecular formula of 2-Hydroxyphenyl 4-nitrobenzoate is C13H9NO5.
What is the molecular weight of 2-Hydroxyphenyl 4-nitrobenzoate?
The molecular weight of 2-Hydroxyphenyl 4-nitrobenzoate is 259.05 g/mol.
Where can I buy 2-Hydroxyphenyl 4-nitrobenzoate?
You can request a quote for 2-Hydroxyphenyl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxyphenyl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxyphenyl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.