Epismilagenin
TL;DR: Epismilagenin (CAS 16653-88-6) 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,16R,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: Epismilagenin, 3-Epismilagenin, Tigogenin, epi-Sarsasapogenin, (25R)-Spirostan-3alpha-ol
| 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 |
Chemical Identifiers
| CAS Number | 16653-88-6 |
|---|---|
| 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)O)C)C)C)OC1 |
| InChIKey | GMBQZIIUCVWOCD-SGKIHABASA-N |
Product Overview
Epismilagenin (CAS 16653-88-6), with molecular formula C27H44O3 and molecular weight 416.33 g/mol. IUPAC: (1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16R,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 Epismilagenin
Property Insights of Epismilagenin
The XLogP value of 6.5 indicates that Epismilagenin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.7 Ų, Epismilagenin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Epismilagenin 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 Epismilagenin?
The CAS number of Epismilagenin is 16653-88-6.
What is the molecular formula of Epismilagenin?
The molecular formula of Epismilagenin is C27H44O3.
What is the molecular weight of Epismilagenin?
The molecular weight of Epismilagenin is 416.33 g/mol.
Where can I buy Epismilagenin?
You can request a quote for Epismilagenin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Epismilagenin?
Yes, KEHONG BIO provides custom synthesis services for Epismilagenin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.