3-(Aziridin-1-yl)prop-2-enenitrile
TL;DR: 3-(Aziridin-1-yl)prop-2-enenitrile (CAS 23220-69-1) is a chemical compound with molecular formula C5H6N2 and molecular weight 94.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(aziridin-1-yl)prop-2-enenitrile
Also Known As: 3-aziridin-1-yl-acrylonitrile, 3-(aziridin-1-yl)prop-2-enenitrile, 2-Propenenitrile, 3-(1-aziridinyl)-, (E)-
| Molecular Formula | C5H6N2 |
|---|---|
| Molecular Weight | 94.05 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 26.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 94.0531 |
| Heavy Atoms | 7 |
| Complexity | 124.0 |
Chemical Identifiers
| CAS Number | 23220-69-1 |
|---|---|
| SMILES | C1CN1C=CC#N |
| InChIKey | RJCJARUNJZKFNX-UHFFFAOYSA-N |
Product Overview
3-(Aziridin-1-yl)prop-2-enenitrile (CAS 23220-69-1), with molecular formula C5H6N2 and molecular weight 94.05 g/mol. IUPAC: 3-(aziridin-1-yl)prop-2-enenitrile.
Chemical Property Profile of 3-(Aziridin-1-yl)prop-2-enenitrile
Property Insights of 3-(Aziridin-1-yl)prop-2-enenitrile
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Aziridin-1-yl)prop-2-enenitrile. With a topological polar surface area (TPSA) of 26.8 Ų, 3-(Aziridin-1-yl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Aziridin-1-yl)prop-2-enenitrile has 0 hydrogen bond donor(s) and 2 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 3-(Aziridin-1-yl)prop-2-enenitrile?
The CAS number of 3-(Aziridin-1-yl)prop-2-enenitrile is 23220-69-1.
What is the molecular formula of 3-(Aziridin-1-yl)prop-2-enenitrile?
The molecular formula of 3-(Aziridin-1-yl)prop-2-enenitrile is C5H6N2.
What is the molecular weight of 3-(Aziridin-1-yl)prop-2-enenitrile?
The molecular weight of 3-(Aziridin-1-yl)prop-2-enenitrile is 94.05 g/mol.
Where can I buy 3-(Aziridin-1-yl)prop-2-enenitrile?
You can request a quote for 3-(Aziridin-1-yl)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Aziridin-1-yl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Aziridin-1-yl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.