Pregnane-3,6,17,20-tetrol
TL;DR: Pregnane-3,6,17,20-tetrol (CAS 10540-12-2) is a chemical compound with molecular formula C21H36O4 and molecular weight 352.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,10R,13S,14S,17R)-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,6,17-triol
Also Known As: Pregnane-3,6,17,20-tetrol, 5-beta-Pregnane-3alpha,6alpha,17alpha,20beta-tetrol, 5-beta-pregnane-3 alpha,6 alpha,17 alpha,20 beta-tetrol, Pregnane-3,6,17,20-tetrol,(3a,5b,6a,20R)- (9CI), (8R,9S,10R,13S,14S,17R)-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,6,17-triol
| Molecular Formula | C21H36O4 |
|---|---|
| Molecular Weight | 352.26 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 352.26135 |
| Heavy Atoms | 25 |
| Complexity | 538.0 |
Chemical Identifiers
| CAS Number | 10540-12-2 |
|---|---|
| SMILES | CC([C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(C4[C@@]3(CCC(C4)O)C)O)C)O)O |
| InChIKey | SENSDRYGCFGXOG-PHULGAOGSA-N |
Product Overview
Pregnane-3,6,17,20-tetrol (CAS 10540-12-2), with molecular formula C21H36O4 and molecular weight 352.26 g/mol. IUPAC: (8R,9S,10R,13S,14S,17R)-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,6,17-triol.
Chemical Property Profile of Pregnane-3,6,17,20-tetrol
Property Insights of Pregnane-3,6,17,20-tetrol
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pregnane-3,6,17,20-tetrol. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Pregnane-3,6,17,20-tetrol. Following Lipinski's Rule of Five, Pregnane-3,6,17,20-tetrol has 4 hydrogen bond donor(s) and 4 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 Pregnane-3,6,17,20-tetrol?
The CAS number of Pregnane-3,6,17,20-tetrol is 10540-12-2.
What is the molecular formula of Pregnane-3,6,17,20-tetrol?
The molecular formula of Pregnane-3,6,17,20-tetrol is C21H36O4.
What is the molecular weight of Pregnane-3,6,17,20-tetrol?
The molecular weight of Pregnane-3,6,17,20-tetrol is 352.26 g/mol.
Where can I buy Pregnane-3,6,17,20-tetrol?
You can request a quote for Pregnane-3,6,17,20-tetrol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pregnane-3,6,17,20-tetrol?
Yes, KEHONG BIO provides custom synthesis services for Pregnane-3,6,17,20-tetrol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.