RefChem:269768
TL;DR: RefChem:269768 (CAS 111854-41-2) is a chemical compound with molecular formula C18H32N4O8S4 and molecular weight 560.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,12-bis(3-sulfonatosulfanylpropanoyl)-3,12-diaza-6,9-diazoniadispiro[5.2.59.26]hexadecane
Also Known As: 3,12-Diaza-6,9-diazoniadispiro(5.2.5.2)hexadecane, 3,12-bis(1-oxo-3-(sulfothio)propyl)-, dihydroxide, bis(inner salt), N,N'''-Di-(beta-(thiosulfate)propionyl)-N',N''-dispiropiperazinium, 3,12-bis(3-sulfonatosulfanylpropanoyl)-3,12-diaza-6,9-diazoniadispiro[5.2.5^{9}.2^{6}]hexadecane, S,S'-[3,6,9,12-Tetraazadispiro[5.2.5~9~.2~6~]hexadecane-6,9-diium-3,12-diylbis(3-oxopropane-3,1-diyl)] disulfurothioate, BRN 5693699
| Molecular Formula | C18H32N4O8S4 |
|---|---|
| Molecular Weight | 560.11 g/mol |
| LogP | -1.515 |
| Topological Polar Surface Area | 155.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 560.1103 |
| Heavy Atoms | 34 |
| Complexity | 868.4378 |
Chemical Identifiers
| CAS Number | 111854-41-2 |
|---|---|
| SMILES | C1C[N+]2(CCN1C(=O)CCSS(=O)(=O)[O-])CC[N+]3(CCN(CC3)C(=O)CCSS(=O)(=O)[O-])CC2 |
Product Overview
RefChem:269768 (CAS 111854-41-2), with molecular formula C18H32N4O8S4 and molecular weight 560.11 g/mol. IUPAC: 3,12-bis(3-sulfonatosulfanylpropanoyl)-3,12-diaza-6,9-diazoniadispiro[5.2.59.26]hexadecane.
Chemical Property Profile of RefChem:269768
Property Insights of RefChem:269768
The XLogP value of -1.515 indicates that RefChem:269768 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 155.02 Ų indicates high polarity, suggesting RefChem:269768 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:269768 has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:269768?
The CAS number of RefChem:269768 is 111854-41-2.
What is the molecular formula of RefChem:269768?
The molecular formula of RefChem:269768 is C18H32N4O8S4.
What is the molecular weight of RefChem:269768?
The molecular weight of RefChem:269768 is 560.11 g/mol.
Where can I buy RefChem:269768?
You can request a quote for RefChem:269768 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:269768?
Yes, KEHONG BIO provides custom synthesis services for RefChem:269768 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.