泮庫溴銨
TL;DR: 泮庫溴銨 (CAS 15500-66-0) is a chemical compound with molecular formula C35H60Br2N2O4 and molecular weight 730.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
泮庫溴銨
[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-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]phenanthren-3-yl] acetate dibromide
Also Known As: PANCURONIUM BROMIDE, Pancuronium dibromide, Pavulon, Mioblock, bromurex
| Molecular Formula | C35H60Br2N2O4 |
|---|---|
| Molecular Weight | 730.29 g/mol |
| LogP | 0.12 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 732.2899 |
| Heavy Atoms | 43 |
| Complexity | 1000.0 |
| Melting Point | 215 °C |
| Solubility | 1 g sol in 30 parts chloroform, 1 part water (20 °C) |
Chemical Identifiers
| CAS Number | 15500-66-0 |
|---|---|
| SMILES | CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1[N+]4(CCCCC4)C)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5OC(=O)C)[N+]6(CCCCC6)C)C.[Br-].[Br-] |
| InChIKey | NPIJXCQZLFKBMV-YTGGZNJNSA-L |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
泮庫溴銨 (CAS 15500-66-0), with molecular formula C35H60Br2N2O4 and molecular weight 730.29 g/mol. IUPAC: [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-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]phenanthren-3-yl] acetate dibromide.
Chemical Property Profile of 泮庫溴銨
Property Insights of 泮庫溴銨
The XLogP value of 0.12 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 泮庫溴銨. With a topological polar surface area (TPSA) of 52.6 Ų, 泮庫溴銨 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 泮庫溴銨 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 泮庫溴銨?
The CAS number of 泮庫溴銨 is 15500-66-0.
What is the molecular formula of 泮庫溴銨?
The molecular formula of 泮庫溴銨 is C35H60Br2N2O4.
What is the molecular weight of 泮庫溴銨?
The molecular weight of 泮庫溴銨 is 730.29 g/mol.
Where can I buy 泮庫溴銨?
You can request a quote for 泮庫溴銨 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 泮庫溴銨?
Yes, KEHONG BIO provides custom synthesis services for 泮庫溴銨 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.