Zetidoline
TL;DR: Zetidoline (CAS 51940-78-4) is a chemical compound with molecular formula C16H22ClN3O and molecular weight 307.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chlorophenyl)-3-[2-(3,3-dimethylazetidin-1-yl)ethyl]imidazolidin-2-one
Also Known As: Zetidoline, Zetidolina, Zetidolinum, Zetidolinum [INN-Latin], Zetidolina [INN-Spanish]
| Molecular Formula | C16H22ClN3O |
|---|---|
| Molecular Weight | 307.15 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.14514 |
| Heavy Atoms | 21 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 51940-78-4 |
|---|---|
| SMILES | CC1(CN(C1)CCN2CCN(C2=O)C3=CC(=CC=C3)Cl)C |
| InChIKey | AHDBQMJRRXVRDY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Zetidoline (CAS 51940-78-4), with molecular formula C16H22ClN3O and molecular weight 307.15 g/mol. IUPAC: 1-(3-chlorophenyl)-3-[2-(3,3-dimethylazetidin-1-yl)ethyl]imidazolidin-2-one.
Chemical Property Profile of Zetidoline
Property Insights of Zetidoline
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Zetidoline. With a topological polar surface area (TPSA) of 26.8 Ų, Zetidoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Zetidoline 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 Zetidoline?
The CAS number of Zetidoline is 51940-78-4.
What is the molecular formula of Zetidoline?
The molecular formula of Zetidoline is C16H22ClN3O.
What is the molecular weight of Zetidoline?
The molecular weight of Zetidoline is 307.15 g/mol.
Where can I buy Zetidoline?
You can request a quote for Zetidoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Zetidoline?
Yes, KEHONG BIO provides custom synthesis services for Zetidoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.