Spectabiline
TL;DR: Spectabiline (CAS 520-55-8) is a chemical compound with molecular formula C18H25NO7 and molecular weight 367.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,4R,5R,6R,16R)-6-hydroxy-4,5,6-trimethyl-3,7-dioxo-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-en-5-yl] acetate
Also Known As: SPECTABILINE, Sericine hydrochlride, Spectabiline (Senecio), Spectabiline (8CI), KST-1A5424
| Molecular Formula | C18H25NO7 |
|---|---|
| Molecular Weight | 367.16 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 367.16312 |
| Heavy Atoms | 26 |
| Complexity | 674.0 |
Chemical Identifiers
| CAS Number | 520-55-8 |
|---|---|
| SMILES | C[C@H]1C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]1(C)OC(=O)C)(C)O |
| InChIKey | ZVBPCOQJPAOXMI-HWJAIVRSSA-N |
Product Overview
Spectabiline (CAS 520-55-8), with molecular formula C18H25NO7 and molecular weight 367.16 g/mol. IUPAC: [(1R,4R,5R,6R,16R)-6-hydroxy-4,5,6-trimethyl-3,7-dioxo-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-en-5-yl] acetate.
Chemical Property Profile of Spectabiline
Property Insights of Spectabiline
The XLogP value of -0.2 indicates that Spectabiline is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Spectabiline. Following Lipinski's Rule of Five, Spectabiline has 1 hydrogen bond donor(s) and 8 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 Spectabiline?
The CAS number of Spectabiline is 520-55-8.
What is the molecular formula of Spectabiline?
The molecular formula of Spectabiline is C18H25NO7.
What is the molecular weight of Spectabiline?
The molecular weight of Spectabiline is 367.16 g/mol.
Where can I buy Spectabiline?
You can request a quote for Spectabiline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spectabiline?
Yes, KEHONG BIO provides custom synthesis services for Spectabiline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.