1-(Aziridin-1-yl)but-3-en-2-yl acetate
TL;DR: 1-(Aziridin-1-yl)but-3-en-2-yl acetate (CAS 2439-69-2) is a chemical compound with molecular formula C8H13NO2 and molecular weight 155.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(aziridin-1-yl)but-3-en-2-yl acetate
Also Known As: O-Acetyltetramin, 1-(aziridin-1-yl)but-3-en-2-yl acetate, .alpha.-Vinyl AE acetate, NIOSH/CM7600000, IV 148 A
| Molecular Formula | C8H13NO2 |
|---|---|
| Molecular Weight | 155.09 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 29.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 155.09464 |
| Heavy Atoms | 11 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 2439-69-2 |
|---|---|
| SMILES | CC(=O)OC(CN1CC1)C=C |
| InChIKey | XAFZTIBZLQSSGI-UHFFFAOYSA-N |
Product Overview
1-(Aziridin-1-yl)but-3-en-2-yl acetate (CAS 2439-69-2), with molecular formula C8H13NO2 and molecular weight 155.09 g/mol. IUPAC: 1-(aziridin-1-yl)but-3-en-2-yl acetate.
Chemical Property Profile of 1-(Aziridin-1-yl)but-3-en-2-yl acetate
Property Insights of 1-(Aziridin-1-yl)but-3-en-2-yl acetate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Aziridin-1-yl)but-3-en-2-yl acetate. With a topological polar surface area (TPSA) of 29.3 Ų, 1-(Aziridin-1-yl)but-3-en-2-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Aziridin-1-yl)but-3-en-2-yl acetate has 0 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 1-(Aziridin-1-yl)but-3-en-2-yl acetate?
The CAS number of 1-(Aziridin-1-yl)but-3-en-2-yl acetate is 2439-69-2.
What is the molecular formula of 1-(Aziridin-1-yl)but-3-en-2-yl acetate?
The molecular formula of 1-(Aziridin-1-yl)but-3-en-2-yl acetate is C8H13NO2.
What is the molecular weight of 1-(Aziridin-1-yl)but-3-en-2-yl acetate?
The molecular weight of 1-(Aziridin-1-yl)but-3-en-2-yl acetate is 155.09 g/mol.
Where can I buy 1-(Aziridin-1-yl)but-3-en-2-yl acetate?
You can request a quote for 1-(Aziridin-1-yl)but-3-en-2-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Aziridin-1-yl)but-3-en-2-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-(Aziridin-1-yl)but-3-en-2-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.