Smilagenin acetate
TL;DR: Smilagenin acetate (CAS 35319-91-6) is a chemical compound with molecular formula C29H46O4 and molecular weight 458.34 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-yl] acetate
Also Known As: Smilagenin acetate, SMILAGENIN, ACETATE, Isosarsasapogenin, acetate, SMILAGENINACETATE, 3-O-acetylsarsasapogenin
| Molecular Formula | C29H46O4 |
|---|---|
| Molecular Weight | 458.34 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 458.3396 |
| Heavy Atoms | 33 |
| Complexity | 796.0 |
Chemical Identifiers
| CAS Number | 35319-91-6 |
|---|---|
| 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)OC(=O)C)C)C)C)OC1 |
| InChIKey | LVRAKYNQYKVPIK-BSPYNPCNSA-N |
Product Overview
Smilagenin acetate (CAS 35319-91-6), with molecular formula C29H46O4 and molecular weight 458.34 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-yl] acetate.
Chemical Property Profile of Smilagenin acetate
Property Insights of Smilagenin acetate
The XLogP value of 7.1 indicates that Smilagenin acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, Smilagenin acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Smilagenin acetate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Smilagenin acetate?
The CAS number of Smilagenin acetate is 35319-91-6.
What is the molecular formula of Smilagenin acetate?
The molecular formula of Smilagenin acetate is C29H46O4.
What is the molecular weight of Smilagenin acetate?
The molecular weight of Smilagenin acetate is 458.34 g/mol.
Where can I buy Smilagenin acetate?
You can request a quote for Smilagenin acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Smilagenin acetate?
Yes, KEHONG BIO provides custom synthesis services for Smilagenin acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.