N,N'''-Di-(beta-(acetylthio)propionyl)-N',N''-dispirotripiperazinium dibromide
TL;DR: N,N'''-Di-(beta-(acetylthio)propionyl)-N',N''-dispirotripiperazinium dibromide (CAS 111854-43-4) is a chemical compound with molecular formula C22H38Br2N4O4S2 and molecular weight 644.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[3-[12-(3-acetylsulfanylpropanoyl)-3,12-diaza-6,9-diazoniadispiro[5.2.59.26]hexadecan-3-yl]-3-oxopropyl] ethanethioate dibromide
Also Known As: N,N'''-Di-(beta-(acetylthio)propionyl)-N',N''-dispirotripiperazinium dibromide, 3,12-Diaza-6,9-diazoniadispiro(5.2.5.2)hexadecane, 3,12-bis(3-(acetylthio)-1-oxopropyl)-, dibromide, 3,12-Bis[3-(acetylsulfanyl)propanoyl]-3,6,9,12-tetraazadispiro[5.2.5~9~.2~6~]hexadecane-6,9-diium dibromide, S-[3-[12-(3-acetylsulfanylpropanoyl)-3,12-diaza-6,9-diazoniadispiro[5.2.5^{9}.2^{6}]hexadecan-3-yl]-3-oxopropyl] ethanethioate dibromide, RefChem:269777
| Molecular Formula | C22H38Br2N4O4S2 |
|---|---|
| Molecular Weight | 644.07 g/mol |
| LogP | -5.3344 |
| Topological Polar Surface Area | 74.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 644.0701 |
| Heavy Atoms | 34 |
| Complexity | 655.6931 |
Chemical Identifiers
| CAS Number | 111854-43-4 |
|---|---|
| SMILES | CC(=O)SCCC(=O)N1CC[N+]2(CC1)CC[N+]3(CCN(CC3)C(=O)CCSC(=O)C)CC2.[Br-].[Br-] |
Product Overview
N,N'''-Di-(beta-(acetylthio)propionyl)-N',N''-dispirotripiperazinium dibromide (CAS 111854-43-4), with molecular formula C22H38Br2N4O4S2 and molecular weight 644.07 g/mol. IUPAC: S-[3-[12-(3-acetylsulfanylpropanoyl)-3,12-diaza-6,9-diazoniadispiro[5.2.59.26]hexadecan-3-yl]-3-oxopropyl] ethanethioate dibromide.
Chemical Property Profile of N,N'''-Di-(beta-(acetylthio)propionyl)-N',N''-dispirotripiperazinium dibromide
Property Insights of N,N'''-Di-(beta-(acetylthio)propionyl)-N',N''-dispirotripiperazinium dibromide
The XLogP value of -5.3344 indicates that N,N'''-Di-(beta-(acetylthio)propionyl)-N',N''-dispirotripiperazinium dibromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 74.76 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N'''-Di-(beta-(acetylthio)propionyl)-N',N''-dispirotripiperazinium dibromide. Following Lipinski's Rule of Five, N,N'''-Di-(beta-(acetylthio)propionyl)-N',N''-dispirotripiperazinium dibromide 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)propionyl)-N',N''-dispirotripiperazinium dibromide?
The CAS number of N,N'''-Di-(beta-(acetylthio)propionyl)-N',N''-dispirotripiperazinium dibromide is 111854-43-4.
What is the molecular formula of N,N'''-Di-(beta-(acetylthio)propionyl)-N',N''-dispirotripiperazinium dibromide?
The molecular formula of N,N'''-Di-(beta-(acetylthio)propionyl)-N',N''-dispirotripiperazinium dibromide is C22H38Br2N4O4S2.
What is the molecular weight of N,N'''-Di-(beta-(acetylthio)propionyl)-N',N''-dispirotripiperazinium dibromide?
The molecular weight of N,N'''-Di-(beta-(acetylthio)propionyl)-N',N''-dispirotripiperazinium dibromide is 644.07 g/mol.
Where can I buy N,N'''-Di-(beta-(acetylthio)propionyl)-N',N''-dispirotripiperazinium dibromide?
You can request a quote for N,N'''-Di-(beta-(acetylthio)propionyl)-N',N''-dispirotripiperazinium dibromide 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)propionyl)-N',N''-dispirotripiperazinium dibromide?
Yes, KEHONG BIO provides custom synthesis services for N,N'''-Di-(beta-(acetylthio)propionyl)-N',N''-dispirotripiperazinium dibromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.