Thio-Achc-3
TL;DR: Thio-Achc-3 (CAS 60872-43-7) is a chemical compound with molecular formula C28H38Br2N2O4S2 and molecular weight 688.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetylsulfanylethyl-[2-[4-[4-[2-[2-acetylsulfanylethyl(dimethyl)azaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-dimethylazanium dibromide
Also Known As: Thio-Achc-3, 4,4'-Biphenylenebis(2-oxoethylenebis(2-acetylthioethyl)dimethylammonium) dibromide, Ammonium, (4,4'-biphenylenebis(2-oxoethylene))bis((2-acetylthioethyl)dimethyl-, dibromide, 2-acetylsulfanylethyl-[2-[4-[4-[2-[2-acetylsulfanylethyl(dimethyl)azaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-dimethylazanium dibromide, [1,1'-Biphenyl]-4,4'-diethanaminium, N,N'-bis[2-(acetylthio)ethyl]-N,N,N',N'-tetramethyl-.beta.,.beta.'-dioxo-, dibromide
| Molecular Formula | C28H38Br2N2O4S2 |
|---|---|
| Molecular Weight | 688.06 g/mol |
| LogP | -1.79 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 690.06195 |
| Heavy Atoms | 38 |
| Complexity | 704.0 |
Chemical Identifiers
| CAS Number | 60872-43-7 |
|---|---|
| SMILES | CC(=O)SCC[N+](C)(C)C(=O)CC1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)[N+](C)(C)CCSC(=O)C.[Br-].[Br-] |
| InChIKey | JLUHGMOKFOPQNN-UHFFFAOYSA-L |
Product Overview
Thio-Achc-3 (CAS 60872-43-7), with molecular formula C28H38Br2N2O4S2 and molecular weight 688.06 g/mol. IUPAC: 2-acetylsulfanylethyl-[2-[4-[4-[2-[2-acetylsulfanylethyl(dimethyl)azaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-dimethylazanium dibromide.
Chemical Property Profile of Thio-Achc-3
Property Insights of Thio-Achc-3
The XLogP value of -1.79 indicates that Thio-Achc-3 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thio-Achc-3. Following Lipinski's Rule of Five, Thio-Achc-3 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thio-Achc-3?
The CAS number of Thio-Achc-3 is 60872-43-7.
What is the molecular formula of Thio-Achc-3?
The molecular formula of Thio-Achc-3 is C28H38Br2N2O4S2.
What is the molecular weight of Thio-Achc-3?
The molecular weight of Thio-Achc-3 is 688.06 g/mol.
Where can I buy Thio-Achc-3?
You can request a quote for Thio-Achc-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thio-Achc-3?
Yes, KEHONG BIO provides custom synthesis services for Thio-Achc-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.