2-Nitrobenzylidene di(acetate)
TL;DR: 2-Nitrobenzylidene di(acetate) (CAS 6345-63-7) is a chemical compound with molecular formula C11H11NO6 and molecular weight 253.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[acetyloxy-(2-nitrophenyl)methyl] acetate
Also Known As: o-Nitrobenzal diacetate, 2-Nitrobenzylidene di(acetate), (2-nitrophenyl)methylene diacetate, 2-Nitrobenzaldiacetate, Methanediol, diacetate
| Molecular Formula | C11H11NO6 |
|---|---|
| Molecular Weight | 253.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 98.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 253.05864 |
| Heavy Atoms | 18 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 6345-63-7 |
|---|---|
| SMILES | CC(=O)OC(C1=CC=CC=C1[N+](=O)[O-])OC(=O)C |
| InChIKey | PMZHONATLZBKIL-UHFFFAOYSA-N |
Product Overview
2-Nitrobenzylidene di(acetate) (CAS 6345-63-7), with molecular formula C11H11NO6 and molecular weight 253.06 g/mol. IUPAC: [acetyloxy-(2-nitrophenyl)methyl] acetate.
Chemical Property Profile of 2-Nitrobenzylidene di(acetate)
Property Insights of 2-Nitrobenzylidene di(acetate)
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitrobenzylidene di(acetate). The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitrobenzylidene di(acetate). Following Lipinski's Rule of Five, 2-Nitrobenzylidene di(acetate) has 0 hydrogen bond donor(s) and 6 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-Nitrobenzylidene di(acetate)?
The CAS number of 2-Nitrobenzylidene di(acetate) is 6345-63-7.
What is the molecular formula of 2-Nitrobenzylidene di(acetate)?
The molecular formula of 2-Nitrobenzylidene di(acetate) is C11H11NO6.
What is the molecular weight of 2-Nitrobenzylidene di(acetate)?
The molecular weight of 2-Nitrobenzylidene di(acetate) is 253.06 g/mol.
Where can I buy 2-Nitrobenzylidene di(acetate)?
You can request a quote for 2-Nitrobenzylidene di(acetate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitrobenzylidene di(acetate)?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitrobenzylidene di(acetate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.