(3-alpha-Hydroxy-16-alpha-methyl-20-oxo-5-alpha-pregnan-2-beta-yl)trimethylammonium bromide
TL;DR: (3-alpha-Hydroxy-16-alpha-methyl-20-oxo-5-alpha-pregnan-2-beta-yl)trimethylammonium bromide (CAS 17224-50-9) is a chemical compound with molecular formula C25H44BrNO2 and molecular weight 469.26 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,16R,17S)-17-acetyl-3-hydroxy-10,13,16-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-2-yl]-trimethylazanium bromide
Also Known As: (3-alpha-Hydroxy-16-alpha-methyl-20-oxo-5-alpha-pregnan-2-beta-yl)trimethylammonium bromide, Ammonium, (3-alpha-hydroxy-16-alpha-methyl-20-oxo-5-alpha-pregnan-2-beta-yl)trimethyl-, bromide, 2-beta-Dimethylamino-3-alpha-hydroxy-16-alpha-methyl-5-alpha-pregnan-20-one methobromide, 3-Hydroxy-N,N,N,16-tetramethyl-20-oxopregnan-2-aminium bromide, 3alpha-Hydroxy-N,N,N,16alpha-tetramethyl-20-oxo-5alpha-pregnan-2beta-aminium bromide
| Molecular Formula | C25H44BrNO2 |
|---|---|
| Molecular Weight | 469.26 g/mol |
| LogP | 1.5299 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 469.25555 |
| Heavy Atoms | 29 |
| Complexity | 639.0 |
Chemical Identifiers
| CAS Number | 17224-50-9 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@@H]3CC[C@H]4C[C@@H]([C@H](C[C@@]4([C@H]3CC[C@@]2([C@H]1C(=O)C)C)C)[N+](C)(C)C)O.[Br-] |
| InChIKey | MCURGLZHROOEKB-YLRNBPASSA-M |
Product Overview
(3-alpha-Hydroxy-16-alpha-methyl-20-oxo-5-alpha-pregnan-2-beta-yl)trimethylammonium bromide (CAS 17224-50-9), with molecular formula C25H44BrNO2 and molecular weight 469.26 g/mol. IUPAC: [(2S,3S,5S,8R,9S,10S,13S,14S,16R,17S)-17-acetyl-3-hydroxy-10,13,16-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-2-yl]-trimethylazanium bromide.
Chemical Property Profile of (3-alpha-Hydroxy-16-alpha-methyl-20-oxo-5-alpha-pregnan-2-beta-yl)trimethylammonium bromide
Property Insights of (3-alpha-Hydroxy-16-alpha-methyl-20-oxo-5-alpha-pregnan-2-beta-yl)trimethylammonium bromide
The XLogP value of 1.5299 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-alpha-Hydroxy-16-alpha-methyl-20-oxo-5-alpha-pregnan-2-beta-yl)trimethylammonium bromide. With a topological polar surface area (TPSA) of 37.3 Ų, (3-alpha-Hydroxy-16-alpha-methyl-20-oxo-5-alpha-pregnan-2-beta-yl)trimethylammonium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-alpha-Hydroxy-16-alpha-methyl-20-oxo-5-alpha-pregnan-2-beta-yl)trimethylammonium bromide has 1 hydrogen bond donor(s) and 3 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 (3-alpha-Hydroxy-16-alpha-methyl-20-oxo-5-alpha-pregnan-2-beta-yl)trimethylammonium bromide?
The CAS number of (3-alpha-Hydroxy-16-alpha-methyl-20-oxo-5-alpha-pregnan-2-beta-yl)trimethylammonium bromide is 17224-50-9.
What is the molecular formula of (3-alpha-Hydroxy-16-alpha-methyl-20-oxo-5-alpha-pregnan-2-beta-yl)trimethylammonium bromide?
The molecular formula of (3-alpha-Hydroxy-16-alpha-methyl-20-oxo-5-alpha-pregnan-2-beta-yl)trimethylammonium bromide is C25H44BrNO2.
What is the molecular weight of (3-alpha-Hydroxy-16-alpha-methyl-20-oxo-5-alpha-pregnan-2-beta-yl)trimethylammonium bromide?
The molecular weight of (3-alpha-Hydroxy-16-alpha-methyl-20-oxo-5-alpha-pregnan-2-beta-yl)trimethylammonium bromide is 469.26 g/mol.
Where can I buy (3-alpha-Hydroxy-16-alpha-methyl-20-oxo-5-alpha-pregnan-2-beta-yl)trimethylammonium bromide?
You can request a quote for (3-alpha-Hydroxy-16-alpha-methyl-20-oxo-5-alpha-pregnan-2-beta-yl)trimethylammonium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-alpha-Hydroxy-16-alpha-methyl-20-oxo-5-alpha-pregnan-2-beta-yl)trimethylammonium bromide?
Yes, KEHONG BIO provides custom synthesis services for (3-alpha-Hydroxy-16-alpha-methyl-20-oxo-5-alpha-pregnan-2-beta-yl)trimethylammonium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.