Smilagenone
TL;DR: Smilagenone (CAS 5457-74-9) is a chemical compound with molecular formula C27H42O3 and molecular weight 414.31 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,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-one
Also Known As: Smilagenone, Sarsasapogenone, 3-Dehydrosmilagenin, A-spirostan-3-one, (25R)-5beta-Spirostan-3-one
| Molecular Formula | C27H42O3 |
|---|---|
| Molecular Weight | 414.31 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 414.3134 |
| Heavy Atoms | 30 |
| Complexity | 734.0 |
Chemical Identifiers
| CAS Number | 5457-74-9 |
|---|---|
| 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(CCC(=O)C6)C)C)C)OC1 |
| InChIKey | CIBAPVLFORANSS-OBOJVYGLSA-N |
Product Overview
Smilagenone (CAS 5457-74-9), with molecular formula C27H42O3 and molecular weight 414.31 g/mol. IUPAC: (1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-one.
Chemical Property Profile of Smilagenone
Property Insights of Smilagenone
The XLogP value of 6.1 indicates that Smilagenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Smilagenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Smilagenone has 0 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 Smilagenone?
The CAS number of Smilagenone is 5457-74-9.
What is the molecular formula of Smilagenone?
The molecular formula of Smilagenone is C27H42O3.
What is the molecular weight of Smilagenone?
The molecular weight of Smilagenone is 414.31 g/mol.
Where can I buy Smilagenone?
You can request a quote for Smilagenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Smilagenone?
Yes, KEHONG BIO provides custom synthesis services for Smilagenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.