(Dideacetoxy)vecuronium
TL;DR: (Dideacetoxy)vecuronium (CAS 115952-48-2) is a chemical compound with molecular formula C30H53BrN2 and molecular weight 520.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R,5S,8S,9S,10S,13R,14S,16S)-10,13-dimethyl-2-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-yl]-1-methylpiperidin-1-ium bromide
Also Known As: (Dideacetoxy)vecuronium, (Didesacetoxy)vecuronium, Bis(desacetoxy)vecuronium, Org 8764, 3,17-bisdesacetoxy vecuronium
| Molecular Formula | C30H53BrN2 |
|---|---|
| Molecular Weight | 520.34 g/mol |
| LogP | 3.8867 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 520.33923 |
| Heavy Atoms | 33 |
| Complexity | 676.0 |
Chemical Identifiers
| CAS Number | 115952-48-2 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H](C2)[N+]4(CCCCC4)C)CC[C@@H]5[C@@]3(C[C@@H](CC5)N6CCCCC6)C.[Br-] |
| InChIKey | AQMVPBLWUQDAHJ-LPSBBQSESA-M |
Product Overview
(Dideacetoxy)vecuronium (CAS 115952-48-2), with molecular formula C30H53BrN2 and molecular weight 520.34 g/mol. IUPAC: 1-[(2R,5S,8S,9S,10S,13R,14S,16S)-10,13-dimethyl-2-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-yl]-1-methylpiperidin-1-ium bromide.
Chemical Property Profile of (Dideacetoxy)vecuronium
Property Insights of (Dideacetoxy)vecuronium
The XLogP value of 3.8867 indicates that (Dideacetoxy)vecuronium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, (Dideacetoxy)vecuronium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Dideacetoxy)vecuronium has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Dideacetoxy)vecuronium?
The CAS number of (Dideacetoxy)vecuronium is 115952-48-2.
What is the molecular formula of (Dideacetoxy)vecuronium?
The molecular formula of (Dideacetoxy)vecuronium is C30H53BrN2.
What is the molecular weight of (Dideacetoxy)vecuronium?
The molecular weight of (Dideacetoxy)vecuronium is 520.34 g/mol.
Where can I buy (Dideacetoxy)vecuronium?
You can request a quote for (Dideacetoxy)vecuronium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Dideacetoxy)vecuronium?
Yes, KEHONG BIO provides custom synthesis services for (Dideacetoxy)vecuronium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.