(22xi,25R)-6alpha-Hydroxy-5alpha-spirostan-3-one
TL;DR: (22xi,25R)-6alpha-Hydroxy-5alpha-spirostan-3-one (CAS 111372-85-1) 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.
(1R,2S,4S,5'R,7S,8R,9S,12S,13R,18S,19S)-19-hydroxy-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: Maoyancaosu, 6-hydroxyspirostan-3-one, (22xi,25R)-6alpha-Hydroxy-5alpha-spirostan-3-one
| Molecular Formula | C27H42O4 |
|---|---|
| Molecular Weight | 430.31 g/mol |
| LogP | 4.7 |
| 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 | 111372-85-1 |
|---|---|
| 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]4C[C@@H]([C@@H]6[C@@]5(CCC(=O)C6)C)O)C)C)OC1 |
| InChIKey | KALHZODBSBGPIA-DHAGMMETSA-N |
Product Overview
(22xi,25R)-6alpha-Hydroxy-5alpha-spirostan-3-one (CAS 111372-85-1), with molecular formula C27H42O4 and molecular weight 430.31 g/mol. IUPAC: (1R,2S,4S,5'R,7S,8R,9S,12S,13R,18S,19S)-19-hydroxy-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 (22xi,25R)-6alpha-Hydroxy-5alpha-spirostan-3-one
Property Insights of (22xi,25R)-6alpha-Hydroxy-5alpha-spirostan-3-one
The XLogP value of 4.7 indicates that (22xi,25R)-6alpha-Hydroxy-5alpha-spirostan-3-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, (22xi,25R)-6alpha-Hydroxy-5alpha-spirostan-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (22xi,25R)-6alpha-Hydroxy-5alpha-spirostan-3-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 (22xi,25R)-6alpha-Hydroxy-5alpha-spirostan-3-one?
The CAS number of (22xi,25R)-6alpha-Hydroxy-5alpha-spirostan-3-one is 111372-85-1.
What is the molecular formula of (22xi,25R)-6alpha-Hydroxy-5alpha-spirostan-3-one?
The molecular formula of (22xi,25R)-6alpha-Hydroxy-5alpha-spirostan-3-one is C27H42O4.
What is the molecular weight of (22xi,25R)-6alpha-Hydroxy-5alpha-spirostan-3-one?
The molecular weight of (22xi,25R)-6alpha-Hydroxy-5alpha-spirostan-3-one is 430.31 g/mol.
Where can I buy (22xi,25R)-6alpha-Hydroxy-5alpha-spirostan-3-one?
You can request a quote for (22xi,25R)-6alpha-Hydroxy-5alpha-spirostan-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (22xi,25R)-6alpha-Hydroxy-5alpha-spirostan-3-one?
Yes, KEHONG BIO provides custom synthesis services for (22xi,25R)-6alpha-Hydroxy-5alpha-spirostan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.