![[2-(Acetyloxy)-5-nitrophenyl]methanediyl diacetate structure](/static/products/2459/24590-01-0.webp)
[2-(Acetyloxy)-5-nitrophenyl]methanediyl diacetate
TL;DR: [2-(Acetyloxy)-5-nitrophenyl]methanediyl diacetate (CAS 24590-01-0) is a chemical compound with molecular formula C13H13NO8 and molecular weight 311.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(diacetyloxymethyl)-4-nitrophenyl] acetate
Also Known As: KST-1A3474, [2-(acetyloxy)-5-nitrophenyl]methanediyl diacetate, [2-(diacetyloxymethyl)-4-nitrophenyl] acetate, 1-Acetoxy-2-diacetoxymethyl-4-nitro-benzol, 2-Acetoxy-5-nitrophenylmethanediol diacetate
| Molecular Formula | C13H13NO8 |
|---|---|
| Molecular Weight | 311.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 311.06412 |
| Heavy Atoms | 22 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 24590-01-0 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1)[N+](=O)[O-])C(OC(=O)C)OC(=O)C |
| InChIKey | HQLMRSTTXRZOOV-UHFFFAOYSA-N |
Product Overview
[2-(Acetyloxy)-5-nitrophenyl]methanediyl diacetate (CAS 24590-01-0), with molecular formula C13H13NO8 and molecular weight 311.06 g/mol. IUPAC: [2-(diacetyloxymethyl)-4-nitrophenyl] acetate.
Chemical Property Profile of [2-(Acetyloxy)-5-nitrophenyl]methanediyl diacetate
Property Insights of [2-(Acetyloxy)-5-nitrophenyl]methanediyl diacetate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(Acetyloxy)-5-nitrophenyl]methanediyl diacetate. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(Acetyloxy)-5-nitrophenyl]methanediyl diacetate. Following Lipinski's Rule of Five, [2-(Acetyloxy)-5-nitrophenyl]methanediyl diacetate 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 [2-(Acetyloxy)-5-nitrophenyl]methanediyl diacetate?
The CAS number of [2-(Acetyloxy)-5-nitrophenyl]methanediyl diacetate is 24590-01-0.
What is the molecular formula of [2-(Acetyloxy)-5-nitrophenyl]methanediyl diacetate?
The molecular formula of [2-(Acetyloxy)-5-nitrophenyl]methanediyl diacetate is C13H13NO8.
What is the molecular weight of [2-(Acetyloxy)-5-nitrophenyl]methanediyl diacetate?
The molecular weight of [2-(Acetyloxy)-5-nitrophenyl]methanediyl diacetate is 311.06 g/mol.
Where can I buy [2-(Acetyloxy)-5-nitrophenyl]methanediyl diacetate?
You can request a quote for [2-(Acetyloxy)-5-nitrophenyl]methanediyl diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(Acetyloxy)-5-nitrophenyl]methanediyl diacetate?
Yes, KEHONG BIO provides custom synthesis services for [2-(Acetyloxy)-5-nitrophenyl]methanediyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.