N-acetylethanimidate
TL;DR: N-acetylethanimidate (CAS 93588-74-0) is a chemical compound with molecular formula C4H6NO2- and molecular weight 100.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-acetylethanimidate
Also Known As: N-acetylethanimidate, Acetamide, N-acetyl-, ion(1-)
| Molecular Formula | C4H6NO2- |
|---|---|
| Molecular Weight | 100.04 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 52.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 100.039856 |
| Heavy Atoms | 7 |
| Complexity | 94.0 |
Chemical Identifiers
| CAS Number | 93588-74-0 |
|---|---|
| SMILES | CC(=NC(=O)C)[O-] |
| InChIKey | ZSBDPRIWBYHIAF-UHFFFAOYSA-M |
Product Overview
N-acetylethanimidate (CAS 93588-74-0), with molecular formula C4H6NO2- and molecular weight 100.04 g/mol. IUPAC: N-acetylethanimidate.
Chemical Property Profile of N-acetylethanimidate
Property Insights of N-acetylethanimidate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-acetylethanimidate. With a topological polar surface area (TPSA) of 52.5 Ų, N-acetylethanimidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-acetylethanimidate 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 N-acetylethanimidate?
The CAS number of N-acetylethanimidate is 93588-74-0.
What is the molecular formula of N-acetylethanimidate?
The molecular formula of N-acetylethanimidate is C4H6NO2-.
What is the molecular weight of N-acetylethanimidate?
The molecular weight of N-acetylethanimidate is 100.04 g/mol.
Where can I buy N-acetylethanimidate?
You can request a quote for N-acetylethanimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-acetylethanimidate?
Yes, KEHONG BIO provides custom synthesis services for N-acetylethanimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.