N,N'''-Di-(beta-(acetylthio)ethyl)-N',N''-dispirotripiperazinium dichloride
TL;DR: N,N'''-Di-(beta-(acetylthio)ethyl)-N',N''-dispirotripiperazinium dichloride (CAS 111854-44-5) is a chemical compound with molecular formula C20H38Cl2N4O2S2 and molecular weight 500.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-[12-(2-acetylsulfanylethyl)-3,12-diaza-6,9-diazoniadispiro[5.2.59.26]hexadecan-3-yl]ethyl] ethanethioate dichloride
Also Known As: N,N'''-Di-(beta-(acetylthio)ethyl)-N',N''-dispirotripiperazinium dichloride, 3,12-Bis(2-(acetylthio)ethyl)-3,12-diaza-6,9-diazoniadispiro(5.2.5.2)hexadecane dichloride, 3,12-Diaza-6,9-diazoniadispiro(5.2.5.2)hexadecane, 3,12-bis(2-(acetylthio)ethyl)-, dichloride, 3,12-Bis[2-(acetylsulfanyl)ethyl]-3,6,9,12-tetraazadispiro[5.2.5~9~.2~6~]hexadecane-6,9-diium dichloride, S-[2-[12-(2-acetylsulfanylethyl)-3,12-diaza-6,9-diazoniadispiro[5.2.5^{9}.2^{6}]hexadecan-3-yl]ethyl] ethanethioate dichloride
| Molecular Formula | C20H38Cl2N4O2S2 |
|---|---|
| Molecular Weight | 500.18 g/mol |
| LogP | -5.1678 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 500.18134 |
| Heavy Atoms | 30 |
| Complexity | 494.92456 |
Chemical Identifiers
| CAS Number | 111854-44-5 |
|---|---|
| SMILES | CC(=O)SCCN1CC[N+]2(CC1)CC[N+]3(CCN(CC3)CCSC(=O)C)CC2.[Cl-].[Cl-] |
Product Overview
N,N'''-Di-(beta-(acetylthio)ethyl)-N',N''-dispirotripiperazinium dichloride (CAS 111854-44-5), with molecular formula C20H38Cl2N4O2S2 and molecular weight 500.18 g/mol. IUPAC: S-[2-[12-(2-acetylsulfanylethyl)-3,12-diaza-6,9-diazoniadispiro[5.2.59.26]hexadecan-3-yl]ethyl] ethanethioate dichloride.
Chemical Property Profile of N,N'''-Di-(beta-(acetylthio)ethyl)-N',N''-dispirotripiperazinium dichloride
Property Insights of N,N'''-Di-(beta-(acetylthio)ethyl)-N',N''-dispirotripiperazinium dichloride
The XLogP value of -5.1678 indicates that N,N'''-Di-(beta-(acetylthio)ethyl)-N',N''-dispirotripiperazinium dichloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.62 Ų, N,N'''-Di-(beta-(acetylthio)ethyl)-N',N''-dispirotripiperazinium dichloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N'''-Di-(beta-(acetylthio)ethyl)-N',N''-dispirotripiperazinium dichloride 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 N,N'''-Di-(beta-(acetylthio)ethyl)-N',N''-dispirotripiperazinium dichloride?
The CAS number of N,N'''-Di-(beta-(acetylthio)ethyl)-N',N''-dispirotripiperazinium dichloride is 111854-44-5.
What is the molecular formula of N,N'''-Di-(beta-(acetylthio)ethyl)-N',N''-dispirotripiperazinium dichloride?
The molecular formula of N,N'''-Di-(beta-(acetylthio)ethyl)-N',N''-dispirotripiperazinium dichloride is C20H38Cl2N4O2S2.
What is the molecular weight of N,N'''-Di-(beta-(acetylthio)ethyl)-N',N''-dispirotripiperazinium dichloride?
The molecular weight of N,N'''-Di-(beta-(acetylthio)ethyl)-N',N''-dispirotripiperazinium dichloride is 500.18 g/mol.
Where can I buy N,N'''-Di-(beta-(acetylthio)ethyl)-N',N''-dispirotripiperazinium dichloride?
You can request a quote for N,N'''-Di-(beta-(acetylthio)ethyl)-N',N''-dispirotripiperazinium dichloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N'''-Di-(beta-(acetylthio)ethyl)-N',N''-dispirotripiperazinium dichloride?
Yes, KEHONG BIO provides custom synthesis services for N,N'''-Di-(beta-(acetylthio)ethyl)-N',N''-dispirotripiperazinium dichloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.