(25R)-3beta-Hydroxy-5alpha-Spirostan-11-one
TL;DR: (25R)-3beta-Hydroxy-5alpha-Spirostan-11-one (CAS 4802-74-8) is a chemical compound with molecular formula C27H42O4 and molecular weight 430.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-11-one
Also Known As: 11-KETOTIGOGENIN, 11-Oxotigogenin, 3-Hydroxyspirostan-11-one, KST-1A5141, (25R)-3beta-Hydroxy-5alpha-Spirostan-11-one
| Molecular Formula | C27H42O4 |
|---|---|
| Molecular Weight | 430.31 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 430.30832 |
| Heavy Atoms | 31 |
| Complexity | 766.0 |
Chemical Identifiers
| CAS Number | 4802-74-8 |
|---|---|
| SMILES | C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC(=O)[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1 |
| InChIKey | QVZULXNXCIFMTL-IXCVKQQLSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(25R)-3beta-Hydroxy-5alpha-Spirostan-11-one (CAS 4802-74-8), with molecular formula C27H42O4 and molecular weight 430.31 g/mol. IUPAC: (1S,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-11-one.
Chemical Property Profile of (25R)-3beta-Hydroxy-5alpha-Spirostan-11-one
Property Insights of (25R)-3beta-Hydroxy-5alpha-Spirostan-11-one
The XLogP value of 4.9 indicates that (25R)-3beta-Hydroxy-5alpha-Spirostan-11-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, (25R)-3beta-Hydroxy-5alpha-Spirostan-11-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (25R)-3beta-Hydroxy-5alpha-Spirostan-11-one has 1 hydrogen bond donor(s) and 4 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 (25R)-3beta-Hydroxy-5alpha-Spirostan-11-one?
The CAS number of (25R)-3beta-Hydroxy-5alpha-Spirostan-11-one is 4802-74-8.
What is the molecular formula of (25R)-3beta-Hydroxy-5alpha-Spirostan-11-one?
The molecular formula of (25R)-3beta-Hydroxy-5alpha-Spirostan-11-one is C27H42O4.
What is the molecular weight of (25R)-3beta-Hydroxy-5alpha-Spirostan-11-one?
The molecular weight of (25R)-3beta-Hydroxy-5alpha-Spirostan-11-one is 430.31 g/mol.
Where can I buy (25R)-3beta-Hydroxy-5alpha-Spirostan-11-one?
You can request a quote for (25R)-3beta-Hydroxy-5alpha-Spirostan-11-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (25R)-3beta-Hydroxy-5alpha-Spirostan-11-one?
Yes, KEHONG BIO provides custom synthesis services for (25R)-3beta-Hydroxy-5alpha-Spirostan-11-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.