(20R)-5beta-Pregnane-3alpha,17,20-triol
TL;DR: (20R)-5beta-Pregnane-3alpha,17,20-triol (CAS 1165-28-2) is a chemical compound with molecular formula C21H36O3 and molecular weight 336.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,5R,8R,9S,10S,13S,14S,17R)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol
Also Known As: PREGNANETRIOL, 20-EPIPREGNANTRIOL, Standard for chromatography, (20R)-5beta-Pregnane-3alpha,17,20-triol, 5b-pregnane-3a,17a,20a-triol
| Molecular Formula | C21H36O3 |
|---|---|
| Molecular Weight | 336.27 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 336.26645 |
| Heavy Atoms | 24 |
| Complexity | 507.0 |
Chemical Identifiers
| CAS Number | 1165-28-2 |
|---|---|
| SMILES | C[C@H]([C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C)O)O |
| InChIKey | SCPADBBISMMJAW-OYMMSLOLSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(20R)-5beta-Pregnane-3alpha,17,20-triol (CAS 1165-28-2), with molecular formula C21H36O3 and molecular weight 336.27 g/mol. IUPAC: (3R,5R,8R,9S,10S,13S,14S,17R)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of (20R)-5beta-Pregnane-3alpha,17,20-triol
Property Insights of (20R)-5beta-Pregnane-3alpha,17,20-triol
The XLogP value of 3.8 indicates that (20R)-5beta-Pregnane-3alpha,17,20-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 (20R)-5beta-Pregnane-3alpha,17,20-triol. Following Lipinski's Rule of Five, (20R)-5beta-Pregnane-3alpha,17,20-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
Frequently Asked Questions
What is the CAS number of (20R)-5beta-Pregnane-3alpha,17,20-triol?
The CAS number of (20R)-5beta-Pregnane-3alpha,17,20-triol is 1165-28-2.
What is the molecular formula of (20R)-5beta-Pregnane-3alpha,17,20-triol?
The molecular formula of (20R)-5beta-Pregnane-3alpha,17,20-triol is C21H36O3.
What is the molecular weight of (20R)-5beta-Pregnane-3alpha,17,20-triol?
The molecular weight of (20R)-5beta-Pregnane-3alpha,17,20-triol is 336.27 g/mol.
Where can I buy (20R)-5beta-Pregnane-3alpha,17,20-triol?
You can request a quote for (20R)-5beta-Pregnane-3alpha,17,20-triol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (20R)-5beta-Pregnane-3alpha,17,20-triol?
Yes, KEHONG BIO provides custom synthesis services for (20R)-5beta-Pregnane-3alpha,17,20-triol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.