Spirostan-3-one, (5alpha,25R)-
TL;DR: Spirostan-3-one, (5alpha,25R)- (CAS 470-07-5) 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,18S)-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: Yuccagenone, Tigogenone, Sarsasapogenone, 3-Dehydrotigogenin, 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 | 470-07-5 |
|---|---|
| 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-AIEOQHCFSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Spirostan-3-one, (5alpha,25R)- (CAS 470-07-5), with molecular formula C27H42O3 and molecular weight 414.31 g/mol. IUPAC: (1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,18S)-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 Spirostan-3-one, (5alpha,25R)-
Property Insights of Spirostan-3-one, (5alpha,25R)-
The XLogP value of 6.1 indicates that Spirostan-3-one, (5alpha,25R)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Spirostan-3-one, (5alpha,25R)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Spirostan-3-one, (5alpha,25R)- 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 Spirostan-3-one, (5alpha,25R)-?
The CAS number of Spirostan-3-one, (5alpha,25R)- is 470-07-5.
What is the molecular formula of Spirostan-3-one, (5alpha,25R)-?
The molecular formula of Spirostan-3-one, (5alpha,25R)- is C27H42O3.
What is the molecular weight of Spirostan-3-one, (5alpha,25R)-?
The molecular weight of Spirostan-3-one, (5alpha,25R)- is 414.31 g/mol.
Where can I buy Spirostan-3-one, (5alpha,25R)-?
You can request a quote for Spirostan-3-one, (5alpha,25R)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spirostan-3-one, (5alpha,25R)-?
Yes, KEHONG BIO provides custom synthesis services for Spirostan-3-one, (5alpha,25R)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.