硝酸乙酰酯
TL;DR: 硝酸乙酰酯 (CAS 591-09-3) is a chemical compound with molecular formula C2H3NO4 and molecular weight 105.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硝酸乙酰酯
nitro acetate
Also Known As: Acetyl nitrate, nitro acetate, NITROACETATE, Acetic nitric anhydride, Nitric acetic anhydride
| Molecular Formula | C2H3NO4 |
|---|---|
| Molecular Weight | 105.01 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 105.00621 |
| Heavy Atoms | 7 |
| Complexity | 92.0 |
Chemical Identifiers
| CAS Number | 591-09-3 |
|---|---|
| SMILES | CC(=O)O[N+](=O)[O-] |
| InChIKey | JCZMXVGQBBATMY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硝酸乙酰酯 (CAS 591-09-3), with molecular formula C2H3NO4 and molecular weight 105.01 g/mol. IUPAC: nitro acetate.
Chemical Property Profile of 硝酸乙酰酯
Property Insights of 硝酸乙酰酯
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硝酸乙酰酯. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 硝酸乙酰酯. Following Lipinski's Rule of Five, 硝酸乙酰酯 has 0 hydrogen bond donor(s) and 4 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 硝酸乙酰酯?
The CAS number of 硝酸乙酰酯 is 591-09-3.
What is the molecular formula of 硝酸乙酰酯?
The molecular formula of 硝酸乙酰酯 is C2H3NO4.
What is the molecular weight of 硝酸乙酰酯?
The molecular weight of 硝酸乙酰酯 is 105.01 g/mol.
Where can I buy 硝酸乙酰酯?
You can request a quote for 硝酸乙酰酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硝酸乙酰酯?
Yes, KEHONG BIO provides custom synthesis services for 硝酸乙酰酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.