Deposiston
TL;DR: Deposiston (CAS 54958-72-4) is a chemical compound with molecular formula C45H58O7S and molecular weight 742.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(13S)-17-ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]propane-2-sulfonic acid;[(8R,9S,10R,13S,14S)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
Also Known As: Deposiston, 1-[17-Hydroxy-19-norpregna-1,3,5(10)-trien-20-yn-3-yl]propane-2-sulfonic acid--3-oxo-19-norpregn-4-en-20-yn-17-yl acetate (1/1), 1-[(13S)-17-ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]propane-2-sulfonic acid; [(8R,9S,10R,13S,14S)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acet, 1-[(13S)-17-ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]propane-2-sulfonic acid; [(8R,9S,10R,13S,14S)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate, 1-[(13S)-17-ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]propane-2-sulfonic acid;[(8R,9S,10R,13S,14S)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
| Molecular Formula | C45H58O7S |
|---|---|
| Molecular Weight | 742.39 g/mol |
| LogP | 7.7891 |
| Topological Polar Surface Area | 117.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 742.3903 |
| Heavy Atoms | 53 |
| Complexity | 1883.426 |
Chemical Identifiers
| CAS Number | 54958-72-4 |
|---|---|
| SMILES | CC(CC1=CC2=C(C=C1)C3CC[C@]4(C(C3CC2)CCC4(C#C)O)C)S(=O)(=O)O.CC(=O)OC1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)C#C |
Product Overview
Deposiston (CAS 54958-72-4), with molecular formula C45H58O7S and molecular weight 742.39 g/mol. IUPAC: 1-[(13S)-17-ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]propane-2-sulfonic acid;[(8R,9S,10R,13S,14S)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate.
Chemical Property Profile of Deposiston
Property Insights of Deposiston
The XLogP value of 7.7891 indicates that Deposiston is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.97 Ų falls within the moderate polarity range, balancing permeability and solubility for Deposiston. Following Lipinski's Rule of Five, Deposiston has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Deposiston?
The CAS number of Deposiston is 54958-72-4.
What is the molecular formula of Deposiston?
The molecular formula of Deposiston is C45H58O7S.
What is the molecular weight of Deposiston?
The molecular weight of Deposiston is 742.39 g/mol.
Where can I buy Deposiston?
You can request a quote for Deposiston directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deposiston?
Yes, KEHONG BIO provides custom synthesis services for Deposiston and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.