N-Cyano-2-methylazetidine
TL;DR: N-Cyano-2-methylazetidine (CAS 42364-46-5) is a chemical compound with molecular formula C5H8N2 and molecular weight 96.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylazetidine-1-carbonitrile
Also Known As: N-Cyano-2-methylazetidine, 1-Cyano-2-methylazetidine, 2-methylazetidine-1-carbonitrile, 1-Cyano-2-methylazetidine #, 2-Methyl-1-azetidinecarbonitrile
| Molecular Formula | C5H8N2 |
|---|---|
| Molecular Weight | 96.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 96.06875 |
| Heavy Atoms | 7 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 42364-46-5 |
|---|---|
| SMILES | CC1CCN1C#N |
| InChIKey | CQKRKIXHVZVRTL-UHFFFAOYSA-N |
Product Overview
N-Cyano-2-methylazetidine (CAS 42364-46-5), with molecular formula C5H8N2 and molecular weight 96.07 g/mol. IUPAC: 2-methylazetidine-1-carbonitrile.
Chemical Property Profile of N-Cyano-2-methylazetidine
Property Insights of N-Cyano-2-methylazetidine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Cyano-2-methylazetidine. With a topological polar surface area (TPSA) of 27.0 Ų, N-Cyano-2-methylazetidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Cyano-2-methylazetidine 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 N-Cyano-2-methylazetidine?
The CAS number of N-Cyano-2-methylazetidine is 42364-46-5.
What is the molecular formula of N-Cyano-2-methylazetidine?
The molecular formula of N-Cyano-2-methylazetidine is C5H8N2.
What is the molecular weight of N-Cyano-2-methylazetidine?
The molecular weight of N-Cyano-2-methylazetidine is 96.07 g/mol.
Where can I buy N-Cyano-2-methylazetidine?
You can request a quote for N-Cyano-2-methylazetidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Cyano-2-methylazetidine?
Yes, KEHONG BIO provides custom synthesis services for N-Cyano-2-methylazetidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.