Azetirelin
TL;DR: Azetirelin (CAS 95729-65-0) is a chemical compound with molecular formula C15H20N6O4 and molecular weight 348.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-1-[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-4-oxoazetidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxamide
Also Known As: Azetirelin, Azetirelina, Azetireline, Azetirelinum, Azetirelin [INN]
| Molecular Formula | C15H20N6O4 |
|---|---|
| Molecular Weight | 348.15 g/mol |
| LogP | -2.8 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 348.1546 |
| Heavy Atoms | 25 |
| Complexity | 582.0 |
Chemical Identifiers
| CAS Number | 95729-65-0 |
|---|---|
| SMILES | C1C[C@H](N(C1)C(=O)[C@H](CC2=CN=CN2)NC(=O)[C@@H]3CC(=O)N3)C(=O)N |
| InChIKey | WBGUMUGCONUXFK-DCAQKATOSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Azetirelin (CAS 95729-65-0), with molecular formula C15H20N6O4 and molecular weight 348.15 g/mol. IUPAC: (2S)-1-[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-4-oxoazetidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxamide.
Chemical Property Profile of Azetirelin
Property Insights of Azetirelin
The XLogP value of -2.8 indicates that Azetirelin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 150.0 Ų indicates high polarity, suggesting Azetirelin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Azetirelin has 4 hydrogen bond donor(s) and 5 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 Azetirelin?
The CAS number of Azetirelin is 95729-65-0.
What is the molecular formula of Azetirelin?
The molecular formula of Azetirelin is C15H20N6O4.
What is the molecular weight of Azetirelin?
The molecular weight of Azetirelin is 348.15 g/mol.
Where can I buy Azetirelin?
You can request a quote for Azetirelin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Azetirelin?
Yes, KEHONG BIO provides custom synthesis services for Azetirelin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.