(20S)-Pregnane-3alpha,20-diol
TL;DR: (20S)-Pregnane-3alpha,20-diol (CAS 28818-70-4) is a chemical compound with molecular formula C21H36O2 and molecular weight 320.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Also Known As: pregnanediol, 3a,20b-Pregnanediol, (20S)-Pregnane-3alpha,20-diol, Hydroxydione succinate, Pregnan-3alpha,20alpha-diol
| Molecular Formula | C21H36O2 |
|---|---|
| Molecular Weight | 320.27 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 320.27155 |
| Heavy Atoms | 23 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 28818-70-4 |
|---|---|
| SMILES | C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CC[C@H](C4)O)C)C)O |
| InChIKey | YWYQTGBBEZQBGO-TUSLFBNQSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(20S)-Pregnane-3alpha,20-diol (CAS 28818-70-4), with molecular formula C21H36O2 and molecular weight 320.27 g/mol. IUPAC: (3R,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol.
Chemical Property Profile of (20S)-Pregnane-3alpha,20-diol
Property Insights of (20S)-Pregnane-3alpha,20-diol
The XLogP value of 5.2 indicates that (20S)-Pregnane-3alpha,20-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, (20S)-Pregnane-3alpha,20-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (20S)-Pregnane-3alpha,20-diol has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (20S)-Pregnane-3alpha,20-diol?
The CAS number of (20S)-Pregnane-3alpha,20-diol is 28818-70-4.
What is the molecular formula of (20S)-Pregnane-3alpha,20-diol?
The molecular formula of (20S)-Pregnane-3alpha,20-diol is C21H36O2.
What is the molecular weight of (20S)-Pregnane-3alpha,20-diol?
The molecular weight of (20S)-Pregnane-3alpha,20-diol is 320.27 g/mol.
Where can I buy (20S)-Pregnane-3alpha,20-diol?
You can request a quote for (20S)-Pregnane-3alpha,20-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (20S)-Pregnane-3alpha,20-diol?
Yes, KEHONG BIO provides custom synthesis services for (20S)-Pregnane-3alpha,20-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.