2-Nitrophenyl benzoate
TL;DR: 2-Nitrophenyl benzoate (CAS 15264-74-1) is a chemical compound with molecular formula C13H9NO4 and molecular weight 243.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-nitrophenyl) benzoate
Also Known As: 2-nitrophenyl benzoate, (2-nitrophenyl) benzoate, nitrophenyl benzoate, o-nitrophenyl benzoate, Benzoicacid, 2-nitrophenyl ester
| Molecular Formula | C13H9NO4 |
|---|---|
| Molecular Weight | 243.05 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.05316 |
| Heavy Atoms | 18 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 15264-74-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2[N+](=O)[O-] |
| InChIKey | PNBOBRKDXRJMTL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Nitrophenyl benzoate (CAS 15264-74-1), with molecular formula C13H9NO4 and molecular weight 243.05 g/mol. IUPAC: (2-nitrophenyl) benzoate.
Chemical Property Profile of 2-Nitrophenyl benzoate
Property Insights of 2-Nitrophenyl benzoate
The XLogP value of 3.2 indicates that 2-Nitrophenyl benzoate 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 2-Nitrophenyl benzoate. Following Lipinski's Rule of Five, 2-Nitrophenyl benzoate 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
Frequently Asked Questions
What is the CAS number of 2-Nitrophenyl benzoate?
The CAS number of 2-Nitrophenyl benzoate is 15264-74-1.
What is the molecular formula of 2-Nitrophenyl benzoate?
The molecular formula of 2-Nitrophenyl benzoate is C13H9NO4.
What is the molecular weight of 2-Nitrophenyl benzoate?
The molecular weight of 2-Nitrophenyl benzoate is 243.05 g/mol.
Where can I buy 2-Nitrophenyl benzoate?
You can request a quote for 2-Nitrophenyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitrophenyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitrophenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.