1-Allylazetidine
TL;DR: 1-Allylazetidine (CAS 861839-52-3) is a chemical compound with molecular formula C6H11N and molecular weight 97.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-prop-2-enylazetidine
Also Known As: 1-Allylazetidine, 1-(prop-2-en-1-yl)azetidine, 1-prop-2-enylazetidine, Azetidine, 1-(2-propenyl)-, J2.769.024F
| Molecular Formula | C6H11N |
|---|---|
| Molecular Weight | 97.09 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 97.08915 |
| Heavy Atoms | 7 |
| Complexity | 64.0 |
Chemical Identifiers
| CAS Number | 861839-52-3 |
|---|---|
| SMILES | C=CCN1CCC1 |
| InChIKey | KQWRILJSSKKQJM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Allylazetidine (CAS 861839-52-3), with molecular formula C6H11N and molecular weight 97.09 g/mol. IUPAC: 1-prop-2-enylazetidine.
Chemical Property Profile of 1-Allylazetidine
Property Insights of 1-Allylazetidine
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Allylazetidine. With a topological polar surface area (TPSA) of 3.2 Ų, 1-Allylazetidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Allylazetidine has 0 hydrogen bond donor(s) and 1 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 1-Allylazetidine?
The CAS number of 1-Allylazetidine is 861839-52-3.
What is the molecular formula of 1-Allylazetidine?
The molecular formula of 1-Allylazetidine is C6H11N.
What is the molecular weight of 1-Allylazetidine?
The molecular weight of 1-Allylazetidine is 97.09 g/mol.
Where can I buy 1-Allylazetidine?
You can request a quote for 1-Allylazetidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Allylazetidine?
Yes, KEHONG BIO provides custom synthesis services for 1-Allylazetidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.