3-Hydroxyspirostan-2,12-dione
TL;DR: 3-Hydroxyspirostan-2,12-dione (CAS 94388-67-7) is a chemical compound with molecular formula C27H40O5 and molecular weight 444.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,4S,5'S,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]-10,15-dione
Also Known As: Nummularogenin, 3-Hydroxyspirostan-2,12-dione, (22xi,25S)-3alpha-Hydroxy-5alpha-spirostan-2,12-dione
| Molecular Formula | C27H40O5 |
|---|---|
| Molecular Weight | 444.29 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 444.28757 |
| Heavy Atoms | 32 |
| Complexity | 840.0 |
Chemical Identifiers
| CAS Number | 94388-67-7 |
|---|---|
| SMILES | C[C@H]1CCC2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(C(=O)C[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC(=O)[C@H](C6)O)C)C)C)OC1 |
| InChIKey | SSJCBJPSMYGDDE-LUULUJCBSA-N |
Product Overview
3-Hydroxyspirostan-2,12-dione (CAS 94388-67-7), with molecular formula C27H40O5 and molecular weight 444.29 g/mol. IUPAC: (1R,2S,4S,5'S,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]-10,15-dione.
Chemical Property Profile of 3-Hydroxyspirostan-2,12-dione
Property Insights of 3-Hydroxyspirostan-2,12-dione
The XLogP value of 3.9 indicates that 3-Hydroxyspirostan-2,12-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxyspirostan-2,12-dione. Following Lipinski's Rule of Five, 3-Hydroxyspirostan-2,12-dione has 1 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 3-Hydroxyspirostan-2,12-dione?
The CAS number of 3-Hydroxyspirostan-2,12-dione is 94388-67-7.
What is the molecular formula of 3-Hydroxyspirostan-2,12-dione?
The molecular formula of 3-Hydroxyspirostan-2,12-dione is C27H40O5.
What is the molecular weight of 3-Hydroxyspirostan-2,12-dione?
The molecular weight of 3-Hydroxyspirostan-2,12-dione is 444.29 g/mol.
Where can I buy 3-Hydroxyspirostan-2,12-dione?
You can request a quote for 3-Hydroxyspirostan-2,12-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxyspirostan-2,12-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxyspirostan-2,12-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.