![[Acetyloxy-(3,4-dinitrophenyl)methyl] acetate structure](/static/products/313/313266-23-8.png)
[Acetyloxy-(3,4-dinitrophenyl)methyl] acetate
TL;DR: [Acetyloxy-(3,4-dinitrophenyl)methyl] acetate (CAS 313266-23-8) is a chemical compound with molecular formula C11H10N2O8 and molecular weight 298.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[acetyloxy-(3,4-dinitrophenyl)methyl] acetate
Also Known As: NCIOpen2_005696, 4-diacetoxymethyl-1,2-dinitro-benzene, (3,4-dinitrophenyl)methanediyl diacetate, [acetyloxy-(3,4-dinitrophenyl)methyl] acetate
| Molecular Formula | C11H10N2O8 |
|---|---|
| Molecular Weight | 298.04 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 298.0437 |
| Heavy Atoms | 21 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 313266-23-8 |
|---|---|
| SMILES | CC(=O)OC(C1=CC(=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C |
| InChIKey | KEPXRRNBELXBIJ-UHFFFAOYSA-N |
Product Overview
[Acetyloxy-(3,4-dinitrophenyl)methyl] acetate (CAS 313266-23-8), with molecular formula C11H10N2O8 and molecular weight 298.04 g/mol. IUPAC: [acetyloxy-(3,4-dinitrophenyl)methyl] acetate.
Chemical Property Profile of [Acetyloxy-(3,4-dinitrophenyl)methyl] acetate
Property Insights of [Acetyloxy-(3,4-dinitrophenyl)methyl] acetate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [Acetyloxy-(3,4-dinitrophenyl)methyl] acetate. The TPSA of 144.0 Ų indicates high polarity, suggesting [Acetyloxy-(3,4-dinitrophenyl)methyl] acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [Acetyloxy-(3,4-dinitrophenyl)methyl] acetate has 0 hydrogen bond donor(s) and 8 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 [Acetyloxy-(3,4-dinitrophenyl)methyl] acetate?
The CAS number of [Acetyloxy-(3,4-dinitrophenyl)methyl] acetate is 313266-23-8.
What is the molecular formula of [Acetyloxy-(3,4-dinitrophenyl)methyl] acetate?
The molecular formula of [Acetyloxy-(3,4-dinitrophenyl)methyl] acetate is C11H10N2O8.
What is the molecular weight of [Acetyloxy-(3,4-dinitrophenyl)methyl] acetate?
The molecular weight of [Acetyloxy-(3,4-dinitrophenyl)methyl] acetate is 298.04 g/mol.
Where can I buy [Acetyloxy-(3,4-dinitrophenyl)methyl] acetate?
You can request a quote for [Acetyloxy-(3,4-dinitrophenyl)methyl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [Acetyloxy-(3,4-dinitrophenyl)methyl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [Acetyloxy-(3,4-dinitrophenyl)methyl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.