N,N'''-Di-(beta-(isothiouronium)propionyl)-N,N''-dispirotripiperazinium dichloride 2HBr
TL;DR: N,N'''-Di-(beta-(isothiouronium)propionyl)-N,N''-dispirotripiperazinium dichloride 2HBr (CAS 111854-45-6) is a chemical compound with molecular formula C20H40Br2Cl2N8O2S2 and molecular weight 716.04596 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-[12-(3-carbamimidoylsulfanylpropanoyl)-3,12-diaza-6,9-diazoniadispiro[5.2.59.26]hexadecan-3-yl]-3-oxopropyl] carbamimidothioate;dichloride;dihydrobromide
Also Known As: N,N'''-Di-(beta-(isothiouronium)propionyl)-N,N''-dispirotripiperazinium dichloride 2HBr, 3,12-Diaza-6,9-diazoniadispiro(5.2.5.2)hexadecane, 3,12-bis(3-((aminoiminomethyl)thio)-1-oxopropyl)-, dichloride, dihydrobromide, [3-[12-(3-carbamimidoylsulfanylpropanoyl)-3,12-diaza-6,9-diazoniadispiro[5.2.5^{9}.2^{6}]hexadecan-3-yl]-3-oxopropyl] carbamimidothioate dichloride dihydrobromide
Technical Specifications
| Molecular Formula | C20H40Br2Cl2N8O2S2 |
| Molecular Weight | 716.04596 g/mol |
| XLogP | -5.48466 |
| Topological Polar Surface Area (TPSA) | 191.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 716.04596 Da |
| Heavy Atoms | 36 |
| Complexity | 646.0 |
| SMILES | C1C[N+]2(CCN1C(=O)CCSC(=N)N)CC[N+]3(CCN(CC3)C(=O)CCSC(=N)N)CC2.[Cl-].[Cl-].Br.Br |
| InChIKey | QXDRUJMEAFXHJQ-UHFFFAOYSA-L |
Product Description
Applications: AC1MJ6QT is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies AC1MJ6QT (CAS 111854-45-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
AC1MJ6QT is a fine chemical identified by CAS number 111854-45-6 and the molecular formula C20H40Br2Cl2N8O2S2 and a molecular weight of 716.05 g/mol. It is also known as N,N'''-Di-(beta-(isothiouronium)propionyl)-N,N''-dispirotripiperazinium dichloride 2HBr and 3,12-Diaza-6,9-diazoniadispiro(5.2.5.2)hexadecane, 3,12-bis(3-((aminoiminomethyl)thio)-1-oxopropyl)-, dichloride, dihydrobromide.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of N,N'''-Di-(beta-(isothiouronium)propionyl)-N,N''-dispirotripiperazinium dichloride 2HBr
Property Insights of N,N'''-Di-(beta-(isothiouronium)propionyl)-N,N''-dispirotripiperazinium dichloride 2HBr
The XLogP value of -5.48466 indicates that N,N'''-Di-(beta-(isothiouronium)propionyl)-N,N''-dispirotripiperazinium dichloride 2HBr is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 191.0 Ų indicates high polarity, suggesting N,N'''-Di-(beta-(isothiouronium)propionyl)-N,N''-dispirotripiperazinium dichloride 2HBr may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N,N'''-Di-(beta-(isothiouronium)propionyl)-N,N''-dispirotripiperazinium dichloride 2HBr has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of N,N'''-Di-(beta-(isothiouronium)propionyl)-N,N''-dispirotripiperazinium dichloride 2HBr?
The CAS number of N,N'''-Di-(beta-(isothiouronium)propionyl)-N,N''-dispirotripiperazinium dichloride 2HBr is 111854-45-6.
What is the molecular formula of N,N'''-Di-(beta-(isothiouronium)propionyl)-N,N''-dispirotripiperazinium dichloride 2HBr?
The molecular formula of N,N'''-Di-(beta-(isothiouronium)propionyl)-N,N''-dispirotripiperazinium dichloride 2HBr is C20H40Br2Cl2N8O2S2.
What is the molecular weight of N,N'''-Di-(beta-(isothiouronium)propionyl)-N,N''-dispirotripiperazinium dichloride 2HBr?
The molecular weight of N,N'''-Di-(beta-(isothiouronium)propionyl)-N,N''-dispirotripiperazinium dichloride 2HBr is 716.04596 g/mol.
What are the applications of N,N'''-Di-(beta-(isothiouronium)propionyl)-N,N''-dispirotripiperazinium dichloride 2HBr?
AC1MJ6QT is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies AC1MJ6QT (CAS 111854-45-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Where can I buy N,N'''-Di-(beta-(isothiouronium)propionyl)-N,N''-dispirotripiperazinium dichloride 2HBr?
You can request a quote for N,N'''-Di-(beta-(isothiouronium)propionyl)-N,N''-dispirotripiperazinium dichloride 2HBr directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N,N'''-Di-(beta-(isothiouronium)propionyl)-N,N''-dispirotripiperazinium dichloride 2HBr?
Yes, CoreyChem provides custom synthesis services for N,N'''-Di-(beta-(isothiouronium)propionyl)-N,N''-dispirotripiperazinium dichloride 2HBr and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.