Ethanimidic acid, N-acetyl-, ethyl ester
TL;DR: Ethanimidic acid, N-acetyl-, ethyl ester (CAS 99028-44-1) is a chemical compound with molecular formula C6H11NO2 and molecular weight 129.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-acetylethanimidate
Also Known As: Ethyl N-acetylacetimidate, N-Acetylacetimidsaeure-ethylester, N-(1-ethoxyethylidene)acetamide, Ethanimidic acid, N-acetyl-, ethyl ester, Ethyl (1E)-N-acetylethanimidate
| Molecular Formula | C6H11NO2 |
|---|---|
| Molecular Weight | 129.08 g/mol |
| LogP | 0.9878 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 129.07898 |
| Heavy Atoms | 9 |
| Complexity | 129.01955 |
Chemical Identifiers
| CAS Number | 99028-44-1 |
|---|---|
| SMILES | CCOC(=NC(=O)C)C |
Product Overview
Ethanimidic acid, N-acetyl-, ethyl ester (CAS 99028-44-1), with molecular formula C6H11NO2 and molecular weight 129.08 g/mol. IUPAC: ethyl N-acetylethanimidate.
Chemical Property Profile of Ethanimidic acid, N-acetyl-, ethyl ester
Property Insights of Ethanimidic acid, N-acetyl-, ethyl ester
The XLogP value of 0.9878 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanimidic acid, N-acetyl-, ethyl ester. With a topological polar surface area (TPSA) of 38.66 Ų, Ethanimidic acid, N-acetyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanimidic acid, N-acetyl-, ethyl ester has 0 hydrogen bond donor(s) and 2 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 Ethanimidic acid, N-acetyl-, ethyl ester?
The CAS number of Ethanimidic acid, N-acetyl-, ethyl ester is 99028-44-1.
What is the molecular formula of Ethanimidic acid, N-acetyl-, ethyl ester?
The molecular formula of Ethanimidic acid, N-acetyl-, ethyl ester is C6H11NO2.
What is the molecular weight of Ethanimidic acid, N-acetyl-, ethyl ester?
The molecular weight of Ethanimidic acid, N-acetyl-, ethyl ester is 129.08 g/mol.
Where can I buy Ethanimidic acid, N-acetyl-, ethyl ester?
You can request a quote for Ethanimidic acid, N-acetyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanimidic acid, N-acetyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Ethanimidic acid, N-acetyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.