溴化琥珀乙铵
TL;DR: 溴化琥珀乙铵 (CAS 111-00-2) is a chemical compound with molecular formula C16H34Br2N2O4 and molecular weight 476.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
溴化琥珀乙铵
ethyl-[2-[4-[2-[ethyl(dimethyl)azaniumyl]ethoxy]-4-oxobutanoyl]oxyethyl]-dimethylazanium dibromide
Also Known As: Suxethonium bromide, Brevidil E, Suxamethonium bromide, Suxethonium bromide [BAN], M AND B 2210
| Molecular Formula | C16H34Br2N2O4 |
|---|---|
| Molecular Weight | 476.09 g/mol |
| LogP | -4.95 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 478.0865 |
| Heavy Atoms | 24 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 111-00-2 |
|---|---|
| SMILES | CC[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)CC.[Br-].[Br-] |
| InChIKey | KTZFEWDRQPCZAP-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
溴化琥珀乙铵 (CAS 111-00-2), with molecular formula C16H34Br2N2O4 and molecular weight 476.09 g/mol. IUPAC: ethyl-[2-[4-[2-[ethyl(dimethyl)azaniumyl]ethoxy]-4-oxobutanoyl]oxyethyl]-dimethylazanium dibromide.
Chemical Property Profile of 溴化琥珀乙铵
Property Insights of 溴化琥珀乙铵
The XLogP value of -4.95 indicates that 溴化琥珀乙铵 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.6 Ų, 溴化琥珀乙铵 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 溴化琥珀乙铵 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 溴化琥珀乙铵?
The CAS number of 溴化琥珀乙铵 is 111-00-2.
What is the molecular formula of 溴化琥珀乙铵?
The molecular formula of 溴化琥珀乙铵 is C16H34Br2N2O4.
What is the molecular weight of 溴化琥珀乙铵?
The molecular weight of 溴化琥珀乙铵 is 476.09 g/mol.
Where can I buy 溴化琥珀乙铵?
You can request a quote for 溴化琥珀乙铵 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 溴化琥珀乙铵?
Yes, KEHONG BIO provides custom synthesis services for 溴化琥珀乙铵 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.