1-(2-beta-Hydroxy-17-oxo-5-alpha-androstan-3-alpha-yl)-1-methylpiperidinium bromide acetate
TL;DR: 1-(2-beta-Hydroxy-17-oxo-5-alpha-androstan-3-alpha-yl)-1-methylpiperidinium bromide acetate (CAS 17224-48-5) is a chemical compound with molecular formula C27H44BrNO3 and molecular weight 509.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-3-(1-methylpiperidin-1-ium-1-yl)-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-2-yl] acetate bromide
Also Known As: 1-(2-beta-Hydroxy-17-oxo-5-alpha-androstan-3-alpha-yl)-1-methylpiperidinium bromide acetate, 2-beta-Acetoxy-3-alpha-piperidino-5-alpha-androstan-17-one methobromide, Piperidinium, 1-(2-beta-hydroxy-17-oxo-5-alpha-androstan-3-alpha-yl)-1-methyl-, bromide, acetate, 2-(Acetyloxy)-3-(1-methylpiperidin-1-ium-1-yl)-17-oxoandrostane bromide, 2beta-(Acetyloxy)-3alpha-(1-methylpiperidin-1-ium-1-yl)-17-oxo-5alpha-androstane bromide
| Molecular Formula | C27H44BrNO3 |
|---|---|
| Molecular Weight | 509.25 g/mol |
| LogP | 2.1429 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 509.25046 |
| Heavy Atoms | 32 |
| Complexity | 743.0 |
Chemical Identifiers
| CAS Number | 17224-48-5 |
|---|---|
| SMILES | CC(=O)O[C@H]1C[C@]2([C@@H](CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)C[C@@H]1[N+]5(CCCCC5)C)C.[Br-] |
| InChIKey | MRIIHRKJSHWLCA-ZULPSGRVSA-M |
Product Overview
1-(2-beta-Hydroxy-17-oxo-5-alpha-androstan-3-alpha-yl)-1-methylpiperidinium bromide acetate (CAS 17224-48-5), with molecular formula C27H44BrNO3 and molecular weight 509.25 g/mol. IUPAC: [(2S,3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-3-(1-methylpiperidin-1-ium-1-yl)-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-2-yl] acetate bromide.
Chemical Property Profile of 1-(2-beta-Hydroxy-17-oxo-5-alpha-androstan-3-alpha-yl)-1-methylpiperidinium bromide acetate
Property Insights of 1-(2-beta-Hydroxy-17-oxo-5-alpha-androstan-3-alpha-yl)-1-methylpiperidinium bromide acetate
The XLogP value of 2.1429 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-beta-Hydroxy-17-oxo-5-alpha-androstan-3-alpha-yl)-1-methylpiperidinium bromide acetate. With a topological polar surface area (TPSA) of 43.4 Ų, 1-(2-beta-Hydroxy-17-oxo-5-alpha-androstan-3-alpha-yl)-1-methylpiperidinium bromide acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-beta-Hydroxy-17-oxo-5-alpha-androstan-3-alpha-yl)-1-methylpiperidinium bromide acetate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(2-beta-Hydroxy-17-oxo-5-alpha-androstan-3-alpha-yl)-1-methylpiperidinium bromide acetate?
The CAS number of 1-(2-beta-Hydroxy-17-oxo-5-alpha-androstan-3-alpha-yl)-1-methylpiperidinium bromide acetate is 17224-48-5.
What is the molecular formula of 1-(2-beta-Hydroxy-17-oxo-5-alpha-androstan-3-alpha-yl)-1-methylpiperidinium bromide acetate?
The molecular formula of 1-(2-beta-Hydroxy-17-oxo-5-alpha-androstan-3-alpha-yl)-1-methylpiperidinium bromide acetate is C27H44BrNO3.
What is the molecular weight of 1-(2-beta-Hydroxy-17-oxo-5-alpha-androstan-3-alpha-yl)-1-methylpiperidinium bromide acetate?
The molecular weight of 1-(2-beta-Hydroxy-17-oxo-5-alpha-androstan-3-alpha-yl)-1-methylpiperidinium bromide acetate is 509.25 g/mol.
Where can I buy 1-(2-beta-Hydroxy-17-oxo-5-alpha-androstan-3-alpha-yl)-1-methylpiperidinium bromide acetate?
You can request a quote for 1-(2-beta-Hydroxy-17-oxo-5-alpha-androstan-3-alpha-yl)-1-methylpiperidinium bromide acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-beta-Hydroxy-17-oxo-5-alpha-androstan-3-alpha-yl)-1-methylpiperidinium bromide acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-beta-Hydroxy-17-oxo-5-alpha-androstan-3-alpha-yl)-1-methylpiperidinium bromide acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.