2-(Ethoxycarbonyl)-N-(naphthalen-1-yl)aziridine-1-carboximidic acid
TL;DR: 2-(Ethoxycarbonyl)-N-(naphthalen-1-yl)aziridine-1-carboximidic acid (CAS 21384-57-6) is a chemical compound with molecular formula C16H16N2O3 and molecular weight 284.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(naphthalen-1-ylcarbamoyl)aziridine-2-carboxylate
Also Known As: 1-2-aziridinecarboxylicacidethylester, 1- -2-aziridinecarboxylicacidethylester, methyl 1-benzyl-aziridine-2-carboxylate, 1-(1-Naphthylcarbamoyl)-2-aziridinecarboxylic acid ethyl ester, ethyl 1-(naphthalen-1-ylcarbamoyl)aziridine-2-carboxylate
| Molecular Formula | C16H16N2O3 |
|---|---|
| Molecular Weight | 284.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.1161 |
| Heavy Atoms | 21 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 21384-57-6 |
|---|---|
| SMILES | CCOC(=O)C1CN1C(=O)NC2=CC=CC3=CC=CC=C32 |
| InChIKey | AKJCWKLUZKLVNN-UHFFFAOYSA-N |
Product Overview
2-(Ethoxycarbonyl)-N-(naphthalen-1-yl)aziridine-1-carboximidic acid (CAS 21384-57-6), with molecular formula C16H16N2O3 and molecular weight 284.12 g/mol. IUPAC: ethyl 1-(naphthalen-1-ylcarbamoyl)aziridine-2-carboxylate.
Chemical Property Profile of 2-(Ethoxycarbonyl)-N-(naphthalen-1-yl)aziridine-1-carboximidic acid
Property Insights of 2-(Ethoxycarbonyl)-N-(naphthalen-1-yl)aziridine-1-carboximidic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Ethoxycarbonyl)-N-(naphthalen-1-yl)aziridine-1-carboximidic acid. With a topological polar surface area (TPSA) of 58.4 Ų, 2-(Ethoxycarbonyl)-N-(naphthalen-1-yl)aziridine-1-carboximidic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Ethoxycarbonyl)-N-(naphthalen-1-yl)aziridine-1-carboximidic acid 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 2-(Ethoxycarbonyl)-N-(naphthalen-1-yl)aziridine-1-carboximidic acid?
The CAS number of 2-(Ethoxycarbonyl)-N-(naphthalen-1-yl)aziridine-1-carboximidic acid is 21384-57-6.
What is the molecular formula of 2-(Ethoxycarbonyl)-N-(naphthalen-1-yl)aziridine-1-carboximidic acid?
The molecular formula of 2-(Ethoxycarbonyl)-N-(naphthalen-1-yl)aziridine-1-carboximidic acid is C16H16N2O3.
What is the molecular weight of 2-(Ethoxycarbonyl)-N-(naphthalen-1-yl)aziridine-1-carboximidic acid?
The molecular weight of 2-(Ethoxycarbonyl)-N-(naphthalen-1-yl)aziridine-1-carboximidic acid is 284.12 g/mol.
Where can I buy 2-(Ethoxycarbonyl)-N-(naphthalen-1-yl)aziridine-1-carboximidic acid?
You can request a quote for 2-(Ethoxycarbonyl)-N-(naphthalen-1-yl)aziridine-1-carboximidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Ethoxycarbonyl)-N-(naphthalen-1-yl)aziridine-1-carboximidic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Ethoxycarbonyl)-N-(naphthalen-1-yl)aziridine-1-carboximidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.