Butyrylethyleneimine
TL;DR: Butyrylethyleneimine (CAS 10431-86-4) is a chemical compound with molecular formula C6H11NO and molecular weight 113.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(aziridin-1-yl)butan-1-one
Also Known As: Butyrylethyleneimine, Butyrylethylenimine, 1-(aziridin-1-yl)butan-1-one, 1-n-Butyrylaziridine, Aziridine, 1-butyryl-
| Molecular Formula | C6H11NO |
|---|---|
| Molecular Weight | 113.08 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 20.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 113.08406 |
| Heavy Atoms | 8 |
| Complexity | 96.0 |
Chemical Identifiers
| CAS Number | 10431-86-4 |
|---|---|
| SMILES | CCCC(=O)N1CC1 |
| InChIKey | UFWIDNCIQKQRIJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyrylethyleneimine (CAS 10431-86-4), with molecular formula C6H11NO and molecular weight 113.08 g/mol. IUPAC: 1-(aziridin-1-yl)butan-1-one.
Chemical Property Profile of Butyrylethyleneimine
Property Insights of Butyrylethyleneimine
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyrylethyleneimine. With a topological polar surface area (TPSA) of 20.1 Ų, Butyrylethyleneimine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyrylethyleneimine has 0 hydrogen bond donor(s) and 1 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 Butyrylethyleneimine?
The CAS number of Butyrylethyleneimine is 10431-86-4.
What is the molecular formula of Butyrylethyleneimine?
The molecular formula of Butyrylethyleneimine is C6H11NO.
What is the molecular weight of Butyrylethyleneimine?
The molecular weight of Butyrylethyleneimine is 113.08 g/mol.
Where can I buy Butyrylethyleneimine?
You can request a quote for Butyrylethyleneimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyrylethyleneimine?
Yes, KEHONG BIO provides custom synthesis services for Butyrylethyleneimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.