17-Keto Vecuronium Bromide
TL;DR: 17-Keto Vecuronium Bromide (CAS 50587-93-4) is a chemical compound with molecular formula C32H53BrN2O3 and molecular weight 592.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3S,5S,10S,13S,16S)-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-17-oxo-2-piperidin-1-yl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate bromide
Also Known As: 17-Keto Vecuronium Bromide, Androstane,piperidinium deriv., 5-alpha-Androstan-17-one, 3-alpha-acetoxy-16-beta-pipecolinio-2-beta-piperidino-, bromide, [(2S,3S,5S,10S,13S,16S)-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-17-oxo-2-piperidin-1-yl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate;bromide, Piperidinium, 1-(3-alpha-acetoxy-17-oxo-2-beta-piperidino-5-alpha-androstan-16-beta-yl)-1-methyl-, bromide
| Molecular Formula | C32H53BrN2O3 |
|---|---|
| Molecular Weight | 592.32 g/mol |
| LogP | 2.6073 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 592.324 |
| Heavy Atoms | 38 |
| Complexity | 899.13556 |
Chemical Identifiers
| CAS Number | 50587-93-4 |
|---|---|
| SMILES | CC(=O)O[C@H]1C[C@@H]2CCC3C([C@]2(C[C@@H]1N4CCCCC4)C)CC[C@]5(C3C[C@@H](C5=O)[N+]6(CCCCC6)C)C.[Br-] |
Product Overview
17-Keto Vecuronium Bromide (CAS 50587-93-4), with molecular formula C32H53BrN2O3 and molecular weight 592.32 g/mol. IUPAC: [(2S,3S,5S,10S,13S,16S)-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-17-oxo-2-piperidin-1-yl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate bromide.
Chemical Property Profile of 17-Keto Vecuronium Bromide
Property Insights of 17-Keto Vecuronium Bromide
The XLogP value of 2.6073 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 17-Keto Vecuronium Bromide. With a topological polar surface area (TPSA) of 46.61 Ų, 17-Keto Vecuronium Bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17-Keto Vecuronium Bromide 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 17-Keto Vecuronium Bromide?
The CAS number of 17-Keto Vecuronium Bromide is 50587-93-4.
What is the molecular formula of 17-Keto Vecuronium Bromide?
The molecular formula of 17-Keto Vecuronium Bromide is C32H53BrN2O3.
What is the molecular weight of 17-Keto Vecuronium Bromide?
The molecular weight of 17-Keto Vecuronium Bromide is 592.32 g/mol.
Where can I buy 17-Keto Vecuronium Bromide?
You can request a quote for 17-Keto Vecuronium Bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-Keto Vecuronium Bromide?
Yes, KEHONG BIO provides custom synthesis services for 17-Keto Vecuronium Bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.