o-Nitrobenzyl propionate
TL;DR: o-Nitrobenzyl propionate (CAS 132663-51-5) is a chemical compound with molecular formula C10H11NO4 and molecular weight 209.0688 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-nitrophenyl)methyl propanoate
Also Known As: o-Nitrobenzyl propionate, (2-nitrophenyl)methyl propanoate, 2-nitrobenzyl propanoate, Benzenemethanol, 2-nitro-, 1-propanoate, Benzenemethanol, 2-nitro-, propanoate (ester)
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H11NO4 |
| Molecular Weight | 209.0688 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.0688 Da |
| Heavy Atoms | 15 |
| Complexity | 236.0 |
| SMILES | CCC(=O)OCC1=CC=CC=C1[N+](=O)[O-] |
| InChIKey | XNZCXBDQNBUKST-UHFFFAOYSA-N |
Chemical Property Profile of o-Nitrobenzyl propionate
Property Insights of o-Nitrobenzyl propionate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-Nitrobenzyl propionate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for o-Nitrobenzyl propionate. Following Lipinski's Rule of Five, o-Nitrobenzyl propionate 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 o-Nitrobenzyl propionate?
The CAS number of o-Nitrobenzyl propionate is 132663-51-5.
What is the molecular formula of o-Nitrobenzyl propionate?
The molecular formula of o-Nitrobenzyl propionate is C10H11NO4.
What is the molecular weight of o-Nitrobenzyl propionate?
The molecular weight of o-Nitrobenzyl propionate is 209.0688 g/mol.
Where can I buy o-Nitrobenzyl propionate?
You can request a quote for o-Nitrobenzyl propionate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for o-Nitrobenzyl propionate?
Yes, CoreyChem provides custom synthesis services for o-Nitrobenzyl propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.