Smilagenin
TL;DR: Smilagenin (CAS 126-18-1) is a chemical compound with molecular formula C27H44O3 and molecular weight 416.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol
Also Known As: Smilagenin, Isosarsapogenin, Isosarsasapogenin, Esmilagenin, Cogane
| Molecular Formula | C27H44O3 |
|---|---|
| Molecular Weight | 416.33 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 416.32904 |
| Heavy Atoms | 30 |
| Complexity | 694.0 |
| Melting Point | 185 °C |
Chemical Identifiers
| CAS Number | 126-18-1 |
|---|---|
| SMILES | C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@H]6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1 |
| InChIKey | GMBQZIIUCVWOCD-UQHLGXRBSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Smilagenin (CAS 126-18-1), with molecular formula C27H44O3 and molecular weight 416.33 g/mol. IUPAC: (1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol.
Chemical Property Profile of Smilagenin
Property Insights of Smilagenin
The XLogP value of 6.5 indicates that Smilagenin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.7 Ų, Smilagenin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Smilagenin has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Smilagenin?
The CAS number of Smilagenin is 126-18-1.
What is the molecular formula of Smilagenin?
The molecular formula of Smilagenin is C27H44O3.
What is the molecular weight of Smilagenin?
The molecular weight of Smilagenin is 416.33 g/mol.
Where can I buy Smilagenin?
You can request a quote for Smilagenin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Smilagenin?
Yes, KEHONG BIO provides custom synthesis services for Smilagenin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.