Sterculinine
TL;DR: Sterculinine (CAS 600166-05-0) is a chemical compound with molecular formula C18H20N2O6 and molecular weight 360.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-4-butoxy-4-oxo-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoic acid
Also Known As: Sterculinine, Sterculinine I, (2R)-4-butoxy-4-oxo-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoic acid, (2R)-4-butoxy-4-oxo-2-((2-oxo-1H-quinoline-4-carbonyl)amino)butanoic acid, RefChem:185586
| Molecular Formula | C18H20N2O6 |
|---|---|
| Molecular Weight | 360.13 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 360.13214 |
| Heavy Atoms | 26 |
| Complexity | 600.0 |
Chemical Identifiers
| CAS Number | 600166-05-0 |
|---|---|
| SMILES | CCCCOC(=O)C[C@H](C(=O)O)NC(=O)C1=CC(=O)NC2=CC=CC=C21 |
| InChIKey | YUEGCMDJZXZCID-CQSZACIVSA-N |
Product Overview
Sterculinine (CAS 600166-05-0), with molecular formula C18H20N2O6 and molecular weight 360.13 g/mol. IUPAC: (2R)-4-butoxy-4-oxo-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoic acid.
Chemical Property Profile of Sterculinine
Property Insights of Sterculinine
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sterculinine. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Sterculinine. Following Lipinski's Rule of Five, Sterculinine has 3 hydrogen bond donor(s) and 6 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 Sterculinine?
The CAS number of Sterculinine is 600166-05-0.
What is the molecular formula of Sterculinine?
The molecular formula of Sterculinine is C18H20N2O6.
What is the molecular weight of Sterculinine?
The molecular weight of Sterculinine is 360.13 g/mol.
Where can I buy Sterculinine?
You can request a quote for Sterculinine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sterculinine?
Yes, KEHONG BIO provides custom synthesis services for Sterculinine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.