Dithiobisacetylcholine
TL;DR: Dithiobisacetylcholine (CAS 27142-51-4) is a chemical compound with molecular formula C14H30N2O4S2+2 and molecular weight 354.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[2-[2-[[2-oxo-2-[2-(trimethylazaniumyl)ethoxy]ethyl]disulfanyl]acetyl]oxyethyl]azanium
Also Known As: Dithiobisacetylcholine, DT-Ach, Dithiobis(acetylcholine), trimethyl-[2-[2-[[2-oxo-2-[2-(trimethylazaniumyl)ethoxy]ethyl]disulfanyl]acetyl]oxyethyl]azanium, Ethanaminium, 2,2'-(dithiobis((1-oxo-2,1-ethanediyl)oxy))bis(N,N,N-trimethyl-
| Molecular Formula | C14H30N2O4S2+2 |
|---|---|
| Molecular Weight | 354.16 g/mol |
| LogP | 0.8666 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 354.1647 |
| Heavy Atoms | 22 |
| Complexity | 317.73245 |
Chemical Identifiers
| CAS Number | 27142-51-4 |
|---|---|
| SMILES | C[N+](C)(C)CCOC(=O)CSSCC(=O)OCC[N+](C)(C)C |
Product Overview
Dithiobisacetylcholine (CAS 27142-51-4), with molecular formula C14H30N2O4S2+2 and molecular weight 354.16 g/mol. IUPAC: trimethyl-[2-[2-[[2-oxo-2-[2-(trimethylazaniumyl)ethoxy]ethyl]disulfanyl]acetyl]oxyethyl]azanium.
Chemical Property Profile of Dithiobisacetylcholine
Property Insights of Dithiobisacetylcholine
The XLogP value of 0.8666 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dithiobisacetylcholine. With a topological polar surface area (TPSA) of 52.6 Ų, Dithiobisacetylcholine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dithiobisacetylcholine 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 Dithiobisacetylcholine?
The CAS number of Dithiobisacetylcholine is 27142-51-4.
What is the molecular formula of Dithiobisacetylcholine?
The molecular formula of Dithiobisacetylcholine is C14H30N2O4S2+2.
What is the molecular weight of Dithiobisacetylcholine?
The molecular weight of Dithiobisacetylcholine is 354.16 g/mol.
Where can I buy Dithiobisacetylcholine?
You can request a quote for Dithiobisacetylcholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dithiobisacetylcholine?
Yes, KEHONG BIO provides custom synthesis services for Dithiobisacetylcholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.