2,17-Bis(acetyloxy)-3-(1-methylpiperidin-1-ium-1-yl)androstane bromide
TL;DR: 2,17-Bis(acetyloxy)-3-(1-methylpiperidin-1-ium-1-yl)androstane bromide (CAS 17224-47-4) is a chemical compound with molecular formula C29H48BrNO4 and molecular weight 553.28 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,17S)-2-acetyloxy-10,13-dimethyl-3-(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate bromide
Also Known As: 2-beta,17-beta-Diacetoxy-3-alpha-piperidino-5-alpha-androstane methobromide, 2,17-Bis(acetyloxy)-3-(1-methylpiperidin-1-ium-1-yl)androstane bromide, Piperidinium, 1-(2-beta,17-beta-dihydroxy-5-alpha-androstan-3-alpha-yl)-1-methyl-, bromide, diacetate, [(2S,3S,5S,8R,9S,10S,13S,14S,17S)-2-acetyloxy-10,13-dimethyl-3-(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate bromide, 2beta,17beta-Bis(acetyloxy)-3alpha-(1-methylpiperidin-1-ium-1-yl)-5alpha-androstane bromide
| Molecular Formula | C29H48BrNO4 |
|---|---|
| Molecular Weight | 553.28 g/mol |
| LogP | 2.5055 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 553.2767 |
| Heavy Atoms | 35 |
| Complexity | 806.0 |
Chemical Identifiers
| CAS Number | 17224-47-4 |
|---|---|
| SMILES | CC(=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@H](C4)[N+]5(CCCCC5)C)OC(=O)C)C)C.[Br-] |
| InChIKey | UCECVWNYHKEZQM-UMTCJJNJSA-M |
Product Overview
2,17-Bis(acetyloxy)-3-(1-methylpiperidin-1-ium-1-yl)androstane bromide (CAS 17224-47-4), with molecular formula C29H48BrNO4 and molecular weight 553.28 g/mol. IUPAC: [(2S,3S,5S,8R,9S,10S,13S,14S,17S)-2-acetyloxy-10,13-dimethyl-3-(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate bromide.
Chemical Property Profile of 2,17-Bis(acetyloxy)-3-(1-methylpiperidin-1-ium-1-yl)androstane bromide
Property Insights of 2,17-Bis(acetyloxy)-3-(1-methylpiperidin-1-ium-1-yl)androstane bromide
The XLogP value of 2.5055 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,17-Bis(acetyloxy)-3-(1-methylpiperidin-1-ium-1-yl)androstane bromide. With a topological polar surface area (TPSA) of 52.6 Ų, 2,17-Bis(acetyloxy)-3-(1-methylpiperidin-1-ium-1-yl)androstane bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,17-Bis(acetyloxy)-3-(1-methylpiperidin-1-ium-1-yl)androstane bromide has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,17-Bis(acetyloxy)-3-(1-methylpiperidin-1-ium-1-yl)androstane bromide?
The CAS number of 2,17-Bis(acetyloxy)-3-(1-methylpiperidin-1-ium-1-yl)androstane bromide is 17224-47-4.
What is the molecular formula of 2,17-Bis(acetyloxy)-3-(1-methylpiperidin-1-ium-1-yl)androstane bromide?
The molecular formula of 2,17-Bis(acetyloxy)-3-(1-methylpiperidin-1-ium-1-yl)androstane bromide is C29H48BrNO4.
What is the molecular weight of 2,17-Bis(acetyloxy)-3-(1-methylpiperidin-1-ium-1-yl)androstane bromide?
The molecular weight of 2,17-Bis(acetyloxy)-3-(1-methylpiperidin-1-ium-1-yl)androstane bromide is 553.28 g/mol.
Where can I buy 2,17-Bis(acetyloxy)-3-(1-methylpiperidin-1-ium-1-yl)androstane bromide?
You can request a quote for 2,17-Bis(acetyloxy)-3-(1-methylpiperidin-1-ium-1-yl)androstane bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,17-Bis(acetyloxy)-3-(1-methylpiperidin-1-ium-1-yl)androstane bromide?
Yes, KEHONG BIO provides custom synthesis services for 2,17-Bis(acetyloxy)-3-(1-methylpiperidin-1-ium-1-yl)androstane bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.