2,16-Bis(1-methylpiperidin-1-ium-1-yl)androstane-3,17-diol dibromide
TL;DR: 2,16-Bis(1-methylpiperidin-1-ium-1-yl)androstane-3,17-diol dibromide (CAS 15500-65-9) is a chemical compound with molecular formula C31H56Br2N2O2 and molecular weight 646.27 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,17R)-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol dibromide
Also Known As: O3-deacetyl rocuronium bromide, Org-NA 96, Vecuronium Impurity 2, Desdiacetylpancuronium bromide, 3,17-Dihydroxy Vecuronium Dibromide
| Molecular Formula | C31H56Br2N2O2 |
|---|---|
| Molecular Weight | 646.27 g/mol |
| LogP | -1.0231 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 646.2709 |
| Heavy Atoms | 37 |
| Complexity | 789.0 |
Chemical Identifiers
| CAS Number | 15500-65-9 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]([C@@H]2O)[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 | RKUFZQXWVPBFDX-LKRYSLHCSA-L |
Product Overview
2,16-Bis(1-methylpiperidin-1-ium-1-yl)androstane-3,17-diol dibromide (CAS 15500-65-9), with molecular formula C31H56Br2N2O2 and molecular weight 646.27 g/mol. IUPAC: (2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol dibromide.
Chemical Property Profile of 2,16-Bis(1-methylpiperidin-1-ium-1-yl)androstane-3,17-diol dibromide
Property Insights of 2,16-Bis(1-methylpiperidin-1-ium-1-yl)androstane-3,17-diol dibromide
The XLogP value of -1.0231 indicates that 2,16-Bis(1-methylpiperidin-1-ium-1-yl)androstane-3,17-diol dibromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.5 Ų, 2,16-Bis(1-methylpiperidin-1-ium-1-yl)androstane-3,17-diol dibromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,16-Bis(1-methylpiperidin-1-ium-1-yl)androstane-3,17-diol dibromide has 2 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 2,16-Bis(1-methylpiperidin-1-ium-1-yl)androstane-3,17-diol dibromide?
The CAS number of 2,16-Bis(1-methylpiperidin-1-ium-1-yl)androstane-3,17-diol dibromide is 15500-65-9.
What is the molecular formula of 2,16-Bis(1-methylpiperidin-1-ium-1-yl)androstane-3,17-diol dibromide?
The molecular formula of 2,16-Bis(1-methylpiperidin-1-ium-1-yl)androstane-3,17-diol dibromide is C31H56Br2N2O2.
What is the molecular weight of 2,16-Bis(1-methylpiperidin-1-ium-1-yl)androstane-3,17-diol dibromide?
The molecular weight of 2,16-Bis(1-methylpiperidin-1-ium-1-yl)androstane-3,17-diol dibromide is 646.27 g/mol.
Where can I buy 2,16-Bis(1-methylpiperidin-1-ium-1-yl)androstane-3,17-diol dibromide?
You can request a quote for 2,16-Bis(1-methylpiperidin-1-ium-1-yl)androstane-3,17-diol dibromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,16-Bis(1-methylpiperidin-1-ium-1-yl)androstane-3,17-diol dibromide?
Yes, KEHONG BIO provides custom synthesis services for 2,16-Bis(1-methylpiperidin-1-ium-1-yl)androstane-3,17-diol dibromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.