N-(Ethoxycarbonyl)aziridine
TL;DR: N-(Ethoxycarbonyl)aziridine (CAS 671-51-2) is a chemical compound with molecular formula C5H9NO2 and molecular weight 115.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl aziridine-1-carboxylate
Also Known As: ethyl aziridine-1-carboxylate, N-(Ethoxycarbonyl)aziridine, N-Carbethoxyethylenimine, Ethyl aziridinylformate, 1-Ethoxycarbonylaziridine
| Molecular Formula | C5H9NO2 |
|---|---|
| Molecular Weight | 115.06 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 29.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 115.06333 |
| Heavy Atoms | 8 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 671-51-2 |
|---|---|
| SMILES | CCOC(=O)N1CC1 |
| InChIKey | MGPDSKXOTDLPJE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(Ethoxycarbonyl)aziridine (CAS 671-51-2), with molecular formula C5H9NO2 and molecular weight 115.06 g/mol. IUPAC: ethyl aziridine-1-carboxylate.
Chemical Property Profile of N-(Ethoxycarbonyl)aziridine
Property Insights of N-(Ethoxycarbonyl)aziridine
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(Ethoxycarbonyl)aziridine. With a topological polar surface area (TPSA) of 29.3 Ų, N-(Ethoxycarbonyl)aziridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(Ethoxycarbonyl)aziridine 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-(Ethoxycarbonyl)aziridine?
The CAS number of N-(Ethoxycarbonyl)aziridine is 671-51-2.
What is the molecular formula of N-(Ethoxycarbonyl)aziridine?
The molecular formula of N-(Ethoxycarbonyl)aziridine is C5H9NO2.
What is the molecular weight of N-(Ethoxycarbonyl)aziridine?
The molecular weight of N-(Ethoxycarbonyl)aziridine is 115.06 g/mol.
Where can I buy N-(Ethoxycarbonyl)aziridine?
You can request a quote for N-(Ethoxycarbonyl)aziridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(Ethoxycarbonyl)aziridine?
Yes, KEHONG BIO provides custom synthesis services for N-(Ethoxycarbonyl)aziridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.