Pregnane-3,6,17-triol triacetate
TL;DR: Pregnane-3,6,17-triol triacetate (CAS 130054-54-5) is a chemical compound with molecular formula C27H40O7 and molecular weight 476.2774 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3S,5R,6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6,17-diacetyloxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
Also Known As: Pgtriol triacetate, m-Ac-Dglu-glu-glu, Pregnane-3,6,17-triol triacetate, KST-1A1016, 1-(pyridin-3-ylmethyl)piperidin-3-ol
Technical Specifications
| Molecular Formula | C27H40O7 |
| Molecular Weight | 476.2774 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 96.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 476.2774 Da |
| Heavy Atoms | 34 |
| Complexity | 882.0 |
| SMILES | CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@H]4[C@@]3(CC[C@@H](C4)OC(=O)C)C)OC(=O)C)C)OC(=O)C |
| InChIKey | CTHSOFYMWQMUQJ-KLZDTNLLSA-N |
Chemical Property Profile of Pregnane-3,6,17-triol triacetate
Property Insights of Pregnane-3,6,17-triol triacetate
The XLogP value of 4.1 indicates that Pregnane-3,6,17-triol triacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pregnane-3,6,17-triol triacetate. Following Lipinski's Rule of Five, Pregnane-3,6,17-triol triacetate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Pregnane-3,6,17-triol triacetate?
The CAS number of Pregnane-3,6,17-triol triacetate is 130054-54-5.
What is the molecular formula of Pregnane-3,6,17-triol triacetate?
The molecular formula of Pregnane-3,6,17-triol triacetate is C27H40O7.
What is the molecular weight of Pregnane-3,6,17-triol triacetate?
The molecular weight of Pregnane-3,6,17-triol triacetate is 476.2774 g/mol.
Where can I buy Pregnane-3,6,17-triol triacetate?
You can request a quote for Pregnane-3,6,17-triol triacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pregnane-3,6,17-triol triacetate?
Yes, CoreyChem provides custom synthesis services for Pregnane-3,6,17-triol triacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.