5-beta-Pregnane-3-alpha,11-alpha,20-beta-triol
TL;DR: 5-beta-Pregnane-3-alpha,11-alpha,20-beta-triol (CAS 55647-22-8) is a chemical compound with molecular formula C21H36O3 and molecular weight 336.26645 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3R,5R,8S,9S,10S,11R,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol
Also Known As: Pregnane-3,11,20-triol, 5-beta-Pregnane-3-alpha,11-alpha,20-beta-triol, KST-1A6141, 5?-Pregnane-3?,11?,20?-triol, A-Pregnan-3
Technical Specifications
| Molecular Formula | C21H36O3 |
| Molecular Weight | 336.26645 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 336.26645 Da |
| Heavy Atoms | 24 |
| Complexity | 493.0 |
| SMILES | C[C@H]([C@H]1CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C)O |
| InChIKey | CZHLKVQGWWCQEG-KFOKCSIRSA-N |
Chemical Property Profile of 5-beta-Pregnane-3-alpha,11-alpha,20-beta-triol
Property Insights of 5-beta-Pregnane-3-alpha,11-alpha,20-beta-triol
The XLogP value of 3.8 indicates that 5-beta-Pregnane-3-alpha,11-alpha,20-beta-triol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-beta-Pregnane-3-alpha,11-alpha,20-beta-triol. Following Lipinski's Rule of Five, 5-beta-Pregnane-3-alpha,11-alpha,20-beta-triol has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-beta-Pregnane-3-alpha,11-alpha,20-beta-triol?
The CAS number of 5-beta-Pregnane-3-alpha,11-alpha,20-beta-triol is 55647-22-8.
What is the molecular formula of 5-beta-Pregnane-3-alpha,11-alpha,20-beta-triol?
The molecular formula of 5-beta-Pregnane-3-alpha,11-alpha,20-beta-triol is C21H36O3.
What is the molecular weight of 5-beta-Pregnane-3-alpha,11-alpha,20-beta-triol?
The molecular weight of 5-beta-Pregnane-3-alpha,11-alpha,20-beta-triol is 336.26645 g/mol.
Where can I buy 5-beta-Pregnane-3-alpha,11-alpha,20-beta-triol?
You can request a quote for 5-beta-Pregnane-3-alpha,11-alpha,20-beta-triol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-beta-Pregnane-3-alpha,11-alpha,20-beta-triol?
Yes, CoreyChem provides custom synthesis services for 5-beta-Pregnane-3-alpha,11-alpha,20-beta-triol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.