Spirostan-3-ol, (3alpha,5alpha,25S)-
TL;DR: Spirostan-3-ol, (3alpha,5alpha,25S)- (CAS 75172-34-8) 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'S,6R,7S,8R,9S,12S,13S,16R,18S)-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: Tigogenin, Spirostan-3-ol, (3alpha,5alpha,25S)-, (25S)-5, A-spirostan-3, A-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 | 75172-34-8 |
|---|---|
| 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-GTGHUROTSA-N |
Product Overview
Spirostan-3-ol, (3alpha,5alpha,25S)- (CAS 75172-34-8), with molecular formula C27H44O3 and molecular weight 416.33 g/mol. IUPAC: (1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16R,18S)-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 Spirostan-3-ol, (3alpha,5alpha,25S)-
Property Insights of Spirostan-3-ol, (3alpha,5alpha,25S)-
The XLogP value of 6.5 indicates that Spirostan-3-ol, (3alpha,5alpha,25S)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.7 Ų, Spirostan-3-ol, (3alpha,5alpha,25S)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Spirostan-3-ol, (3alpha,5alpha,25S)- 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 Spirostan-3-ol, (3alpha,5alpha,25S)-?
The CAS number of Spirostan-3-ol, (3alpha,5alpha,25S)- is 75172-34-8.
What is the molecular formula of Spirostan-3-ol, (3alpha,5alpha,25S)-?
The molecular formula of Spirostan-3-ol, (3alpha,5alpha,25S)- is C27H44O3.
What is the molecular weight of Spirostan-3-ol, (3alpha,5alpha,25S)-?
The molecular weight of Spirostan-3-ol, (3alpha,5alpha,25S)- is 416.33 g/mol.
Where can I buy Spirostan-3-ol, (3alpha,5alpha,25S)-?
You can request a quote for Spirostan-3-ol, (3alpha,5alpha,25S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spirostan-3-ol, (3alpha,5alpha,25S)-?
Yes, KEHONG BIO provides custom synthesis services for Spirostan-3-ol, (3alpha,5alpha,25S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.