2-(aziridin-1-yl)but-3-enyl N-phenylcarbamate
TL;DR: 2-(aziridin-1-yl)but-3-enyl N-phenylcarbamate (CAS 5486-62-4) is a chemical compound with molecular formula C13H16N2O2 and molecular weight 232.12 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 N-phenylcarbamate
Also Known As: 2-(aziridin-1-yl)but-3-enyl N-phenylcarbamate, 2-(Aziridin-1-yl)but-3-en-1-yl phenylcarbamate
| Molecular Formula | C13H16N2O2 |
|---|---|
| Molecular Weight | 232.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 41.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 232.12119 |
| Heavy Atoms | 17 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 5486-62-4 |
|---|---|
| SMILES | C=CC(COC(=O)NC1=CC=CC=C1)N2CC2 |
| InChIKey | XKFYQJJUJUXVNK-UHFFFAOYSA-N |
Product Overview
2-(aziridin-1-yl)but-3-enyl N-phenylcarbamate (CAS 5486-62-4), with molecular formula C13H16N2O2 and molecular weight 232.12 g/mol. IUPAC: 2-(aziridin-1-yl)but-3-enyl N-phenylcarbamate.
Chemical Property Profile of 2-(aziridin-1-yl)but-3-enyl N-phenylcarbamate
Property Insights of 2-(aziridin-1-yl)but-3-enyl N-phenylcarbamate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(aziridin-1-yl)but-3-enyl N-phenylcarbamate. With a topological polar surface area (TPSA) of 41.3 Ų, 2-(aziridin-1-yl)but-3-enyl N-phenylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(aziridin-1-yl)but-3-enyl N-phenylcarbamate has 1 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 N-phenylcarbamate?
The CAS number of 2-(aziridin-1-yl)but-3-enyl N-phenylcarbamate is 5486-62-4.
What is the molecular formula of 2-(aziridin-1-yl)but-3-enyl N-phenylcarbamate?
The molecular formula of 2-(aziridin-1-yl)but-3-enyl N-phenylcarbamate is C13H16N2O2.
What is the molecular weight of 2-(aziridin-1-yl)but-3-enyl N-phenylcarbamate?
The molecular weight of 2-(aziridin-1-yl)but-3-enyl N-phenylcarbamate is 232.12 g/mol.
Where can I buy 2-(aziridin-1-yl)but-3-enyl N-phenylcarbamate?
You can request a quote for 2-(aziridin-1-yl)but-3-enyl N-phenylcarbamate 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 N-phenylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 2-(aziridin-1-yl)but-3-enyl N-phenylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.