2-(aziridin-1-yl)but-3-enyl (E)-3-phenylprop-2-enoate
TL;DR: 2-(aziridin-1-yl)but-3-enyl (E)-3-phenylprop-2-enoate (CAS 5486-61-3) is a chemical compound with molecular formula C15H17NO2 and molecular weight 243.13 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 (E)-3-phenylprop-2-enoate
Also Known As: 2-(aziridin-1-yl)but-3-enyl (E)-3-phenylprop-2-enoate, 2-(aziridin-1-yl)but-3-en-1-yl 3-phenylprop-2-enoate
| Molecular Formula | C15H17NO2 |
|---|---|
| Molecular Weight | 243.13 g/mol |
| LogP | 2.1132 |
| Topological Polar Surface Area | 29.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 243.12593 |
| Heavy Atoms | 18 |
| Complexity | 435.06665 |
Chemical Identifiers
| CAS Number | 5486-61-3 |
|---|---|
| SMILES | C=CC(COC(=O)/C=C/C1=CC=CC=C1)N2CC2 |
Product Overview
2-(aziridin-1-yl)but-3-enyl (E)-3-phenylprop-2-enoate (CAS 5486-61-3), with molecular formula C15H17NO2 and molecular weight 243.13 g/mol. IUPAC: 2-(aziridin-1-yl)but-3-enyl (E)-3-phenylprop-2-enoate.
Chemical Property Profile of 2-(aziridin-1-yl)but-3-enyl (E)-3-phenylprop-2-enoate
Property Insights of 2-(aziridin-1-yl)but-3-enyl (E)-3-phenylprop-2-enoate
The XLogP value of 2.1132 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(aziridin-1-yl)but-3-enyl (E)-3-phenylprop-2-enoate. With a topological polar surface area (TPSA) of 29.31 Ų, 2-(aziridin-1-yl)but-3-enyl (E)-3-phenylprop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(aziridin-1-yl)but-3-enyl (E)-3-phenylprop-2-enoate 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 2-(aziridin-1-yl)but-3-enyl (E)-3-phenylprop-2-enoate?
The CAS number of 2-(aziridin-1-yl)but-3-enyl (E)-3-phenylprop-2-enoate is 5486-61-3.
What is the molecular formula of 2-(aziridin-1-yl)but-3-enyl (E)-3-phenylprop-2-enoate?
The molecular formula of 2-(aziridin-1-yl)but-3-enyl (E)-3-phenylprop-2-enoate is C15H17NO2.
What is the molecular weight of 2-(aziridin-1-yl)but-3-enyl (E)-3-phenylprop-2-enoate?
The molecular weight of 2-(aziridin-1-yl)but-3-enyl (E)-3-phenylprop-2-enoate is 243.13 g/mol.
Where can I buy 2-(aziridin-1-yl)but-3-enyl (E)-3-phenylprop-2-enoate?
You can request a quote for 2-(aziridin-1-yl)but-3-enyl (E)-3-phenylprop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(aziridin-1-yl)but-3-enyl (E)-3-phenylprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(aziridin-1-yl)but-3-enyl (E)-3-phenylprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.