Bakankoside
TL;DR: Bakankoside (CAS 1398-17-0) is a chemical compound with molecular formula C16H23NO8 and molecular weight 357.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4R,4aS)-4-ethenyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,4a,5,6,7-hexahydropyrano[3,4-c]pyridin-8-one
Also Known As: Bakankoside, Bakankosin, Bakankosine, bacancosin, Bakankosin [MI]
| Molecular Formula | C16H23NO8 |
|---|---|
| Molecular Weight | 357.14 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 357.14236 |
| Heavy Atoms | 25 |
| Complexity | 552.0 |
Chemical Identifiers
| CAS Number | 1398-17-0 |
|---|---|
| SMILES | C=C[C@@H]1[C@@H]2CCNC(=O)C2=CO[C@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
| InChIKey | CYRRHDGXDUVPMO-ZASXJUAOSA-N |
Product Overview
Bakankoside (CAS 1398-17-0), with molecular formula C16H23NO8 and molecular weight 357.14 g/mol. IUPAC: (3S,4R,4aS)-4-ethenyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,4a,5,6,7-hexahydropyrano[3,4-c]pyridin-8-one.
Chemical Property Profile of Bakankoside
Property Insights of Bakankoside
The XLogP value of -1.5 indicates that Bakankoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bakankoside. Following Lipinski's Rule of Five, Bakankoside has 5 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 Bakankoside?
The CAS number of Bakankoside is 1398-17-0.
What is the molecular formula of Bakankoside?
The molecular formula of Bakankoside is C16H23NO8.
What is the molecular weight of Bakankoside?
The molecular weight of Bakankoside is 357.14 g/mol.
Where can I buy Bakankoside?
You can request a quote for Bakankoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bakankoside?
Yes, KEHONG BIO provides custom synthesis services for Bakankoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.