Berberrubine
TL;DR: Berberrubine (CAS 15401-69-1) is a chemical compound with molecular formula C19H16ClNO4 and molecular weight 357.07678 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
17-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-16-ol chloride
Also Known As: Berberrubine, Berberrubine chloride, Beroline chloride, Chileninone, 9-Berberoline chloride
Technical Specifications
| Molecular Formula | C19H16ClNO4 |
| Molecular Weight | 357.07678 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 51.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 357.07678 Da |
| Heavy Atoms | 25 |
| Complexity | 474.0 |
| SMILES | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)O.[Cl-] |
| InChIKey | GYFSYEVKFOOLFZ-UHFFFAOYSA-N |
Chemical Property Profile of Berberrubine
Property Insights of Berberrubine
The XLogP value of -0.2 indicates that Berberrubine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 51.8 Ų, Berberrubine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Berberrubine has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Berberrubine?
The CAS number of Berberrubine is 15401-69-1.
What is the molecular formula of Berberrubine?
The molecular formula of Berberrubine is C19H16ClNO4.
What is the molecular weight of Berberrubine?
The molecular weight of Berberrubine is 357.07678 g/mol.
Where can I buy Berberrubine?
You can request a quote for Berberrubine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Berberrubine?
Yes, CoreyChem provides custom synthesis services for Berberrubine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.