4-Nitrobenzylidene di(acetate)
TL;DR: 4-Nitrobenzylidene di(acetate) (CAS 2929-91-1) 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-(4-nitrophenyl)methyl] acetate
Also Known As: p-Nitrobenzal diacetate, 4-Nitrobenzylidene di(acetate), (4-nitrophenyl)methylene diacetate, p-Nitrobenzaldiacetate, 4-Nitrobenzaldiacetate
| Molecular Formula | C11H11NO6 |
|---|---|
| Molecular Weight | 253.06 g/mol |
| LogP | 1.4 |
| 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 | 313.0 |
Chemical Identifiers
| CAS Number | 2929-91-1 |
|---|---|
| SMILES | CC(=O)OC(C1=CC=C(C=C1)[N+](=O)[O-])OC(=O)C |
| InChIKey | WGESNIARHZFDHQ-UHFFFAOYSA-N |
Product Overview
4-Nitrobenzylidene di(acetate) (CAS 2929-91-1), with molecular formula C11H11NO6 and molecular weight 253.06 g/mol. IUPAC: [acetyloxy-(4-nitrophenyl)methyl] acetate.
Chemical Property Profile of 4-Nitrobenzylidene di(acetate)
Property Insights of 4-Nitrobenzylidene di(acetate)
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrobenzylidene di(acetate). The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrobenzylidene di(acetate). Following Lipinski's Rule of Five, 4-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 4-Nitrobenzylidene di(acetate)?
The CAS number of 4-Nitrobenzylidene di(acetate) is 2929-91-1.
What is the molecular formula of 4-Nitrobenzylidene di(acetate)?
The molecular formula of 4-Nitrobenzylidene di(acetate) is C11H11NO6.
What is the molecular weight of 4-Nitrobenzylidene di(acetate)?
The molecular weight of 4-Nitrobenzylidene di(acetate) is 253.06 g/mol.
Where can I buy 4-Nitrobenzylidene di(acetate)?
You can request a quote for 4-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 4-Nitrobenzylidene di(acetate)?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrobenzylidene di(acetate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.