Allopregnane-3beta,20beta-diol
TL;DR: Allopregnane-3beta,20beta-diol (CAS 516-53-0) 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.
(3S,5S,8R,9S,10S,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]phenanthren-3-ol
Also Known As: ALLOPREGNANDIOL, Pregnandiol III, Allopregnane-3beta,20beta-diol, Hydroxydione succinate, EINECS 208-223-7
| Molecular Formula | C21H36O2 |
|---|---|
| Molecular Weight | 320.27 g/mol |
| LogP | 4.387 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 320.27155 |
| Heavy Atoms | 23 |
| Complexity | 460.75793 |
Chemical Identifiers
| CAS Number | 516-53-0 |
|---|---|
| SMILES | C[C@H]([C@H]1CC[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 |
Product Overview
Allopregnane-3beta,20beta-diol (CAS 516-53-0), with molecular formula C21H36O2 and molecular weight 320.27 g/mol. IUPAC: (3S,5S,8R,9S,10S,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]phenanthren-3-ol.
Chemical Property Profile of Allopregnane-3beta,20beta-diol
Property Insights of Allopregnane-3beta,20beta-diol
The XLogP value of 4.387 indicates that Allopregnane-3beta,20beta-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.46 Ų, Allopregnane-3beta,20beta-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allopregnane-3beta,20beta-diol has 2 hydrogen bond donor(s) and 2 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 Allopregnane-3beta,20beta-diol?
The CAS number of Allopregnane-3beta,20beta-diol is 516-53-0.
What is the molecular formula of Allopregnane-3beta,20beta-diol?
The molecular formula of Allopregnane-3beta,20beta-diol is C21H36O2.
What is the molecular weight of Allopregnane-3beta,20beta-diol?
The molecular weight of Allopregnane-3beta,20beta-diol is 320.27 g/mol.
Where can I buy Allopregnane-3beta,20beta-diol?
You can request a quote for Allopregnane-3beta,20beta-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allopregnane-3beta,20beta-diol?
Yes, KEHONG BIO provides custom synthesis services for Allopregnane-3beta,20beta-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.