3-Hydroxy-2,16-bis(1-methylpiperidin-1-ium-1-yl)androstan-17-one dibromide
TL;DR: 3-Hydroxy-2,16-bis(1-methylpiperidin-1-ium-1-yl)androstan-17-one dibromide (CAS 15500-69-3) is a chemical compound with molecular formula C31H54Br2N2O2 and molecular weight 644.26 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,16S)-3-hydroxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one dibromide
Also Known As: 5-alpha-Androstan-17-one, 2-beta,16-beta-dipipecolinio-3-alpha-hydroxy-, dibromide, 2-beta,16-beta-Dipiperidino-3-alpha-hydroxy-5-alpha-androstan-17-one dimethobromide, Piperidinium, 1,1'-(2-beta,16-beta-(3-alpha-hydroxy-17-oxo-5-alpha-androstanylene))bis(1-methyl-, dibromide, 3-Hydroxy-2,16-bis(1-methylpiperidin-1-ium-1-yl)androstan-17-one dibromide, (2S,3S,5S,8R,9S,10S,13S,14S,16S)-3-hydroxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one dibromide
| Molecular Formula | C31H54Br2N2O2 |
|---|---|
| Molecular Weight | 644.26 g/mol |
| LogP | -0.8149 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 644.2552 |
| Heavy Atoms | 37 |
| Complexity | 830.0 |
Chemical Identifiers
| CAS Number | 15500-69-3 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H](C2=O)[N+]4(CCCCC4)C)CC[C@@H]5[C@@]3(C[C@@H]([C@H](C5)O)[N+]6(CCCCC6)C)C.[Br-].[Br-] |
| InChIKey | NKKDTCFYEUEDCU-MDTWZBLYSA-L |
Product Overview
3-Hydroxy-2,16-bis(1-methylpiperidin-1-ium-1-yl)androstan-17-one dibromide (CAS 15500-69-3), with molecular formula C31H54Br2N2O2 and molecular weight 644.26 g/mol. IUPAC: (2S,3S,5S,8R,9S,10S,13S,14S,16S)-3-hydroxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one dibromide.
Chemical Property Profile of 3-Hydroxy-2,16-bis(1-methylpiperidin-1-ium-1-yl)androstan-17-one dibromide
Property Insights of 3-Hydroxy-2,16-bis(1-methylpiperidin-1-ium-1-yl)androstan-17-one dibromide
The XLogP value of -0.8149 indicates that 3-Hydroxy-2,16-bis(1-methylpiperidin-1-ium-1-yl)androstan-17-one dibromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Hydroxy-2,16-bis(1-methylpiperidin-1-ium-1-yl)androstan-17-one dibromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-2,16-bis(1-methylpiperidin-1-ium-1-yl)androstan-17-one dibromide has 1 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 3-Hydroxy-2,16-bis(1-methylpiperidin-1-ium-1-yl)androstan-17-one dibromide?
The CAS number of 3-Hydroxy-2,16-bis(1-methylpiperidin-1-ium-1-yl)androstan-17-one dibromide is 15500-69-3.
What is the molecular formula of 3-Hydroxy-2,16-bis(1-methylpiperidin-1-ium-1-yl)androstan-17-one dibromide?
The molecular formula of 3-Hydroxy-2,16-bis(1-methylpiperidin-1-ium-1-yl)androstan-17-one dibromide is C31H54Br2N2O2.
What is the molecular weight of 3-Hydroxy-2,16-bis(1-methylpiperidin-1-ium-1-yl)androstan-17-one dibromide?
The molecular weight of 3-Hydroxy-2,16-bis(1-methylpiperidin-1-ium-1-yl)androstan-17-one dibromide is 644.26 g/mol.
Where can I buy 3-Hydroxy-2,16-bis(1-methylpiperidin-1-ium-1-yl)androstan-17-one dibromide?
You can request a quote for 3-Hydroxy-2,16-bis(1-methylpiperidin-1-ium-1-yl)androstan-17-one dibromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-2,16-bis(1-methylpiperidin-1-ium-1-yl)androstan-17-one dibromide?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-2,16-bis(1-methylpiperidin-1-ium-1-yl)androstan-17-one dibromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.