beta-Vinyl AE acetate
TL;DR: beta-Vinyl AE acetate (CAS 5456-48-4) 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.
2-(aziridin-1-yl)but-3-enyl acetate
Also Known As: beta-Vinyl AE acetate, Doxopin hydrochloride, .beta.-Vinyl AE acetate, 1-Aziridineethanol, acetate, o-Acetyltetramin (primary isomer)
| 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 | 5456-48-4 |
|---|---|
| SMILES | CC(=O)OCC(C=C)N1CC1 |
| InChIKey | WIMZXQGQWLGUCS-UHFFFAOYSA-N |
Product Overview
beta-Vinyl AE acetate (CAS 5456-48-4), with molecular formula C8H13NO2 and molecular weight 155.09 g/mol. IUPAC: 2-(aziridin-1-yl)but-3-enyl acetate.
Chemical Property Profile of beta-Vinyl AE acetate
Property Insights of beta-Vinyl AE acetate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Vinyl AE acetate. With a topological polar surface area (TPSA) of 29.3 Ų, beta-Vinyl AE acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Vinyl AE 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 beta-Vinyl AE acetate?
The CAS number of beta-Vinyl AE acetate is 5456-48-4.
What is the molecular formula of beta-Vinyl AE acetate?
The molecular formula of beta-Vinyl AE acetate is C8H13NO2.
What is the molecular weight of beta-Vinyl AE acetate?
The molecular weight of beta-Vinyl AE acetate is 155.09 g/mol.
Where can I buy beta-Vinyl AE acetate?
You can request a quote for beta-Vinyl AE acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Vinyl AE acetate?
Yes, KEHONG BIO provides custom synthesis services for beta-Vinyl AE acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.