Sabadine
TL;DR: Sabadine (CAS 124-80-1) is a chemical compound with molecular formula C29H47NO8 and molecular weight 537.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2S,6S,9S,10R,11S,12S,14R,15R,18S,19S,20S,23R,24S)-1,10,11,12,14,19-hexahydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-20-yl] acetate
Also Known As: Sabadine, Sabatine, Sabadin, d-Camphoric acid, SABADINE [MI]
| Molecular Formula | C29H47NO8 |
|---|---|
| Molecular Weight | 537.33 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 537.33014 |
| Heavy Atoms | 38 |
| Complexity | 996.0 |
Chemical Identifiers
| CAS Number | 124-80-1 |
|---|---|
| SMILES | C[C@H]1CC[C@H]2[C@@]([C@]3([C@H](C[C@]4([C@@H]5CC[C@@H]6[C@@H]([C@H](CC[C@@]6([C@H]5C[C@]4([C@@H]3CN2C1)O)C)OC(=O)C)O)O)O)O)(C)O |
| InChIKey | IJZIXCZIZHENJV-ONCBQHFTSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sabadine (CAS 124-80-1), with molecular formula C29H47NO8 and molecular weight 537.33 g/mol. IUPAC: [(1R,2S,6S,9S,10R,11S,12S,14R,15R,18S,19S,20S,23R,24S)-1,10,11,12,14,19-hexahydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-20-yl] acetate.
Chemical Property Profile of Sabadine
Property Insights of Sabadine
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sabadine. The TPSA of 151.0 Ų indicates high polarity, suggesting Sabadine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sabadine has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sabadine?
The CAS number of Sabadine is 124-80-1.
What is the molecular formula of Sabadine?
The molecular formula of Sabadine is C29H47NO8.
What is the molecular weight of Sabadine?
The molecular weight of Sabadine is 537.33 g/mol.
Where can I buy Sabadine?
You can request a quote for Sabadine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sabadine?
Yes, KEHONG BIO provides custom synthesis services for Sabadine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.