2-Cyanoethyl 3-(aziridin-1-yl)propanoate
TL;DR: 2-Cyanoethyl 3-(aziridin-1-yl)propanoate (CAS 24240-46-8) is a chemical compound with molecular formula C8H12N2O2 and molecular weight 168.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyanoethyl 3-(aziridin-1-yl)propanoate
Also Known As: 2-cyanoethyl 3-(aziridin-1-yl)propanoate, 1-Aziridinepropanoicacid,2-cyanoethyl ester, 1-Aziridinepropanoicacid, 2-cyanoethyl ester
| Molecular Formula | C8H12N2O2 |
|---|---|
| Molecular Weight | 168.09 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 168.08987 |
| Heavy Atoms | 12 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 24240-46-8 |
|---|---|
| SMILES | C1CN1CCC(=O)OCCC#N |
| InChIKey | XRVIDDJVOXXVRE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Cyanoethyl 3-(aziridin-1-yl)propanoate (CAS 24240-46-8), with molecular formula C8H12N2O2 and molecular weight 168.09 g/mol. IUPAC: 2-cyanoethyl 3-(aziridin-1-yl)propanoate.
Chemical Property Profile of 2-Cyanoethyl 3-(aziridin-1-yl)propanoate
Property Insights of 2-Cyanoethyl 3-(aziridin-1-yl)propanoate
The XLogP value of -0.4 indicates that 2-Cyanoethyl 3-(aziridin-1-yl)propanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 53.1 Ų, 2-Cyanoethyl 3-(aziridin-1-yl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyanoethyl 3-(aziridin-1-yl)propanoate has 0 hydrogen bond donor(s) and 4 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-Cyanoethyl 3-(aziridin-1-yl)propanoate?
The CAS number of 2-Cyanoethyl 3-(aziridin-1-yl)propanoate is 24240-46-8.
What is the molecular formula of 2-Cyanoethyl 3-(aziridin-1-yl)propanoate?
The molecular formula of 2-Cyanoethyl 3-(aziridin-1-yl)propanoate is C8H12N2O2.
What is the molecular weight of 2-Cyanoethyl 3-(aziridin-1-yl)propanoate?
The molecular weight of 2-Cyanoethyl 3-(aziridin-1-yl)propanoate is 168.09 g/mol.
Where can I buy 2-Cyanoethyl 3-(aziridin-1-yl)propanoate?
You can request a quote for 2-Cyanoethyl 3-(aziridin-1-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyanoethyl 3-(aziridin-1-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyanoethyl 3-(aziridin-1-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.