丁酸2-硝基苯酯
TL;DR: 丁酸2-硝基苯酯 (CAS 2487-26-5) is a chemical compound with molecular formula C10H11NO4 and molecular weight 209.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁酸2-硝基苯酯
(2-nitrophenyl) butanoate
Also Known As: 2-Nitrophenyl butyrate, o-Nitrophenyl butyrate, (2-nitrophenyl) butanoate, 2-nitrophenyl butanoate, ONP-butyrate
| Molecular Formula | C10H11NO4 |
|---|---|
| Molecular Weight | 209.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.0688 |
| Heavy Atoms | 15 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 2487-26-5 |
|---|---|
| SMILES | CCCC(=O)OC1=CC=CC=C1[N+](=O)[O-] |
| InChIKey | DMBLCROMMOZRCN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁酸2-硝基苯酯 (CAS 2487-26-5), with molecular formula C10H11NO4 and molecular weight 209.07 g/mol. IUPAC: (2-nitrophenyl) butanoate.
Chemical Property Profile of 丁酸2-硝基苯酯
Property Insights of 丁酸2-硝基苯酯
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丁酸2-硝基苯酯. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 丁酸2-硝基苯酯. Following Lipinski's Rule of Five, 丁酸2-硝基苯酯 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 丁酸2-硝基苯酯?
The CAS number of 丁酸2-硝基苯酯 is 2487-26-5.
What is the molecular formula of 丁酸2-硝基苯酯?
The molecular formula of 丁酸2-硝基苯酯 is C10H11NO4.
What is the molecular weight of 丁酸2-硝基苯酯?
The molecular weight of 丁酸2-硝基苯酯 is 209.07 g/mol.
Where can I buy 丁酸2-硝基苯酯?
You can request a quote for 丁酸2-硝基苯酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁酸2-硝基苯酯?
Yes, KEHONG BIO provides custom synthesis services for 丁酸2-硝基苯酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.