溴化哌库溴铵
TL;DR: 溴化哌库溴铵 (CAS 52212-02-9) is a chemical compound with molecular formula C35H62Br2N4O4 and molecular weight 760.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
溴化哌库溴铵
[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-2,16-bis(4,4-dimethylpiperazin-4-ium-1-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate dibromide
Also Known As: PIPECURONIUM BROMIDE, Arduan, Pipecurium bromide, Pipecuronio bromuro, Pipecuronium (bromide)
| Molecular Formula | C35H62Br2N4O4 |
|---|---|
| Molecular Weight | 760.31 g/mol |
| LogP | -2.36 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 762.3117 |
| Heavy Atoms | 45 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 52212-02-9 |
|---|---|
| SMILES | CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1N4CC[N+](CC4)(C)C)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5OC(=O)C)N6CC[N+](CC6)(C)C)C.[Br-].[Br-] |
| InChIKey | TXWBOBJCRVVBJF-YTGGZNJNSA-L |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
溴化哌库溴铵 (CAS 52212-02-9), with molecular formula C35H62Br2N4O4 and molecular weight 760.31 g/mol. IUPAC: [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-2,16-bis(4,4-dimethylpiperazin-4-ium-1-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate dibromide.
Chemical Property Profile of 溴化哌库溴铵
Property Insights of 溴化哌库溴铵
The XLogP value of -2.36 indicates that 溴化哌库溴铵 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 59.1 Ų, 溴化哌库溴铵 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 溴化哌库溴铵 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 溴化哌库溴铵?
The CAS number of 溴化哌库溴铵 is 52212-02-9.
What is the molecular formula of 溴化哌库溴铵?
The molecular formula of 溴化哌库溴铵 is C35H62Br2N4O4.
What is the molecular weight of 溴化哌库溴铵?
The molecular weight of 溴化哌库溴铵 is 760.31 g/mol.
Where can I buy 溴化哌库溴铵?
You can request a quote for 溴化哌库溴铵 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 溴化哌库溴铵?
Yes, KEHONG BIO provides custom synthesis services for 溴化哌库溴铵 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.