Prolotestone
TL;DR: Prolotestone (CAS 70003-55-3) is a chemical compound with molecular formula C91H144O11 and molecular weight 1413.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-2,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one;[(2R,5S,8R,9S,10S,13S,14S,17S)-2,10,13-trimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate;[(2R,5S,8R,9S,10S,13S,14S,17S)-2,10,13-trimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] hexanoate;[(2R,5S,8R,9S,10S,13S,14S,17S)-2,10,13-trimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] propanoate
Also Known As: Prolotestone, Androstan-3-one, 17-(acetyloxy)-2-methyl-, (2alpha,5alpha,17beta)-,mixt. with (2alpha,5alpha,17beta)-17-hydroxy-2-methylandrostan-3-one, (2alpha,5alpha,17beta)-2-methyl-17-((1-oxohexyl)oxy)androstan-3-one and (2alpha,5alpha,17beta)-2-methyl-17-(1-oxopropoxy)androstan-3-one, (2R,5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-2,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one; [(2R,5S,8R,9S,10S,13S,14S,17S)-2,10,13-trimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate; [(2R,5S,8R,9S,10S,13S,14S,17S)-2,10,13-trimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] hexanoate; [(2R,5S,8R,9S,10S,13S,14S,17S)-2,10,13-trimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] propanoate
| Molecular Formula | C91H144O11 |
|---|---|
| Molecular Weight | 1413.07 g/mol |
| LogP | 20.4833 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 1413.0709 |
| Heavy Atoms | 102 |
| Complexity | 2310.0 |
Chemical Identifiers
| CAS Number | 70003-55-3 |
|---|---|
| SMILES | CCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@H](C(=O)C4)C)C)C.CCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@H](C(=O)C4)C)C)C.C[C@@H]1C[C@]2([C@@H](CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)CC1=O)C.C[C@@H]1C[C@]2([C@@H](CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4OC(=O)C)C)CC1=O)C |
| InChIKey | YYBGKXGFYXHMHU-JRWFHPNCSA-N |
Product Overview
Prolotestone (CAS 70003-55-3), with molecular formula C91H144O11 and molecular weight 1413.07 g/mol. IUPAC: (2R,5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-2,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one;[(2R,5S,8R,9S,10S,13S,14S,17S)-2,10,13-trimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate;[(2R,5S,8R,9S,10S,13S,14S,17S)-2,10,13-trimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] hexanoate;[(2R,5S,8R,9S,10S,13S,14S,17S)-2,10,13-trimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] propanoate.
Chemical Property Profile of Prolotestone
Property Insights of Prolotestone
The XLogP value of 20.4833 indicates that Prolotestone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 167.0 Ų indicates high polarity, suggesting Prolotestone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Prolotestone has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Prolotestone?
The CAS number of Prolotestone is 70003-55-3.
What is the molecular formula of Prolotestone?
The molecular formula of Prolotestone is C91H144O11.
What is the molecular weight of Prolotestone?
The molecular weight of Prolotestone is 1413.07 g/mol.
Where can I buy Prolotestone?
You can request a quote for Prolotestone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Prolotestone?
Yes, KEHONG BIO provides custom synthesis services for Prolotestone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.