N-乙酰乙基氨基甲酸酯
TL;DR: N-乙酰乙基氨基甲酸酯 (CAS 2597-54-8) is a chemical compound with molecular formula C5H9NO3 and molecular weight 131.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-乙酰乙基氨基甲酸酯
ethyl N-acetylcarbamate
Also Known As: Acetylurethane, Ethyl N-acetylcarbamate, Ethyl acetylcarbamate, N-Acetylurethane, Acetylurethan
| Molecular Formula | C5H9NO3 |
|---|---|
| Molecular Weight | 131.06 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 131.05824 |
| Heavy Atoms | 9 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 2597-54-8 |
|---|---|
| SMILES | CCOC(=O)NC(=O)C |
| InChIKey | CLLOFODTUXGHHT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-乙酰乙基氨基甲酸酯 (CAS 2597-54-8), with molecular formula C5H9NO3 and molecular weight 131.06 g/mol. IUPAC: ethyl N-acetylcarbamate.
Chemical Property Profile of N-乙酰乙基氨基甲酸酯
Property Insights of N-乙酰乙基氨基甲酸酯
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-乙酰乙基氨基甲酸酯. With a topological polar surface area (TPSA) of 55.4 Ų, N-乙酰乙基氨基甲酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-乙酰乙基氨基甲酸酯 has 1 hydrogen bond donor(s) and 3 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 N-乙酰乙基氨基甲酸酯?
The CAS number of N-乙酰乙基氨基甲酸酯 is 2597-54-8.
What is the molecular formula of N-乙酰乙基氨基甲酸酯?
The molecular formula of N-乙酰乙基氨基甲酸酯 is C5H9NO3.
What is the molecular weight of N-乙酰乙基氨基甲酸酯?
The molecular weight of N-乙酰乙基氨基甲酸酯 is 131.06 g/mol.
Where can I buy N-乙酰乙基氨基甲酸酯?
You can request a quote for N-乙酰乙基氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-乙酰乙基氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for N-乙酰乙基氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.