5beta-Spirostan-1beta,2beta,3alpha-triol, (25R)-
TL;DR: 5beta-Spirostan-1beta,2beta,3alpha-triol, (25R)- (CAS 547-01-3) is a chemical compound with molecular formula C27H44O5 and molecular weight 448.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,4S,5'R,7S,8R,9S,12S,13S,14S,15R,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-14,15,16-triol
Also Known As: Tokorogenin, 1beta-Hydroxyyonogenin, Spirostan-1,2,3-triol, 5beta-Spirostan-1beta,2beta,3alpha-triol, (25R)-, (22xi,25R)-5beta-Spirostan-1beta,2beta,3alpha-triol
| Molecular Formula | C27H44O5 |
|---|---|
| Molecular Weight | 448.32 g/mol |
| LogP | 3.7354 |
| Topological Polar Surface Area | 79.15 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 448.31888 |
| Heavy Atoms | 32 |
| Complexity | 744.32874 |
Chemical Identifiers
| CAS Number | 547-01-3 |
|---|---|
| SMILES | C[C@@H]1CCC2([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([C@@H]([C@@H]([C@H](C6)O)O)O)C)C)C)OC1 |
Product Overview
5beta-Spirostan-1beta,2beta,3alpha-triol, (25R)- (CAS 547-01-3), with molecular formula C27H44O5 and molecular weight 448.32 g/mol. IUPAC: (1S,2S,4S,5'R,7S,8R,9S,12S,13S,14S,15R,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-14,15,16-triol.
Chemical Property Profile of 5beta-Spirostan-1beta,2beta,3alpha-triol, (25R)-
Property Insights of 5beta-Spirostan-1beta,2beta,3alpha-triol, (25R)-
The XLogP value of 3.7354 indicates that 5beta-Spirostan-1beta,2beta,3alpha-triol, (25R)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 5beta-Spirostan-1beta,2beta,3alpha-triol, (25R)-. Following Lipinski's Rule of Five, 5beta-Spirostan-1beta,2beta,3alpha-triol, (25R)- has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5beta-Spirostan-1beta,2beta,3alpha-triol, (25R)-?
The CAS number of 5beta-Spirostan-1beta,2beta,3alpha-triol, (25R)- is 547-01-3.
What is the molecular formula of 5beta-Spirostan-1beta,2beta,3alpha-triol, (25R)-?
The molecular formula of 5beta-Spirostan-1beta,2beta,3alpha-triol, (25R)- is C27H44O5.
What is the molecular weight of 5beta-Spirostan-1beta,2beta,3alpha-triol, (25R)-?
The molecular weight of 5beta-Spirostan-1beta,2beta,3alpha-triol, (25R)- is 448.32 g/mol.
Where can I buy 5beta-Spirostan-1beta,2beta,3alpha-triol, (25R)-?
You can request a quote for 5beta-Spirostan-1beta,2beta,3alpha-triol, (25R)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5beta-Spirostan-1beta,2beta,3alpha-triol, (25R)-?
Yes, KEHONG BIO provides custom synthesis services for 5beta-Spirostan-1beta,2beta,3alpha-triol, (25R)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.