2-(Acetyloxy)-4-nitrobenzyl acetate
TL;DR: 2-(Acetyloxy)-4-nitrobenzyl acetate (CAS 353276-02-5) 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.
(2-acetyloxy-4-nitrophenyl)methyl acetate
Also Known As: 2-(acetyloxy)-4-nitrobenzyl acetate, (2-acetyloxy-4-nitrophenyl)methyl acetate, 2-(acetyloxymethyl)-5-nitrophenyl acetate, 2-[(acetyloxy)methyl]-5-nitrophenyl acetate, AI-981/36637004
| Molecular Formula | C11H11NO6 |
|---|---|
| Molecular Weight | 253.06 g/mol |
| LogP | 1.5832 |
| Topological Polar Surface Area | 95.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.05864 |
| Heavy Atoms | 18 |
| Complexity | 496.30685 |
Chemical Identifiers
| CAS Number | 353276-02-5 |
|---|---|
| SMILES | CC(=O)OCC1=C(C=C(C=C1)[N+](=O)[O-])OC(=O)C |
Product Overview
2-(Acetyloxy)-4-nitrobenzyl acetate (CAS 353276-02-5), with molecular formula C11H11NO6 and molecular weight 253.06 g/mol. IUPAC: (2-acetyloxy-4-nitrophenyl)methyl acetate.
Chemical Property Profile of 2-(Acetyloxy)-4-nitrobenzyl acetate
Property Insights of 2-(Acetyloxy)-4-nitrobenzyl acetate
The XLogP value of 1.5832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Acetyloxy)-4-nitrobenzyl acetate. The TPSA of 95.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Acetyloxy)-4-nitrobenzyl acetate. Following Lipinski's Rule of Five, 2-(Acetyloxy)-4-nitrobenzyl 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-(Acetyloxy)-4-nitrobenzyl acetate?
The CAS number of 2-(Acetyloxy)-4-nitrobenzyl acetate is 353276-02-5.
What is the molecular formula of 2-(Acetyloxy)-4-nitrobenzyl acetate?
The molecular formula of 2-(Acetyloxy)-4-nitrobenzyl acetate is C11H11NO6.
What is the molecular weight of 2-(Acetyloxy)-4-nitrobenzyl acetate?
The molecular weight of 2-(Acetyloxy)-4-nitrobenzyl acetate is 253.06 g/mol.
Where can I buy 2-(Acetyloxy)-4-nitrobenzyl acetate?
You can request a quote for 2-(Acetyloxy)-4-nitrobenzyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Acetyloxy)-4-nitrobenzyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Acetyloxy)-4-nitrobenzyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.