Thio-seco-HC-3
TL;DR: Thio-seco-HC-3 (CAS 60872-42-6) is a chemical compound with molecular formula C24H34Br2N2O2S2 and molecular weight 604.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[4-[4-[2-[dimethyl(2-sulfanylethyl)azaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-dimethyl-(2-sulfanylethyl)azanium dibromide
Also Known As: Thio-seco-HC-3, 4,4'-Biphenylenebis(2-oxoethylenebis(thiodimethyl)ammonium) dibromide, Ammonium, 4,4'-biphenylenebis(2-oxoethylene)bis((2-mercaptoethyl)dimethyl-, dibromide, [2-[4-[4-[2-[dimethyl(2-sulfanylethyl)azaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-dimethyl-(2-sulfanylethyl)azanium dibromide, [2-[4-[4-[2-[dimethyl(2-sulfanylethyl)azaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-dimethyl-(2-sulfanylethyl)azanium,dibromide
| Molecular Formula | C24H34Br2N2O2S2 |
|---|---|
| Molecular Weight | 604.04 g/mol |
| LogP | -2.49 |
| Topological Polar Surface Area | 36.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 606.0408 |
| Heavy Atoms | 32 |
| Complexity | 514.0 |
Chemical Identifiers
| CAS Number | 60872-42-6 |
|---|---|
| SMILES | C[N+](C)(CCS)C(=O)CC1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)[N+](C)(C)CCS.[Br-].[Br-] |
| InChIKey | PSQNODLEDYBLTJ-UHFFFAOYSA-N |
Product Overview
Thio-seco-HC-3 (CAS 60872-42-6), with molecular formula C24H34Br2N2O2S2 and molecular weight 604.04 g/mol. IUPAC: [2-[4-[4-[2-[dimethyl(2-sulfanylethyl)azaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-dimethyl-(2-sulfanylethyl)azanium dibromide.
Chemical Property Profile of Thio-seco-HC-3
Property Insights of Thio-seco-HC-3
The XLogP value of -2.49 indicates that Thio-seco-HC-3 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 36.1 Ų, Thio-seco-HC-3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thio-seco-HC-3 has 2 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 Thio-seco-HC-3?
The CAS number of Thio-seco-HC-3 is 60872-42-6.
What is the molecular formula of Thio-seco-HC-3?
The molecular formula of Thio-seco-HC-3 is C24H34Br2N2O2S2.
What is the molecular weight of Thio-seco-HC-3?
The molecular weight of Thio-seco-HC-3 is 604.04 g/mol.
Where can I buy Thio-seco-HC-3?
You can request a quote for Thio-seco-HC-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thio-seco-HC-3?
Yes, KEHONG BIO provides custom synthesis services for Thio-seco-HC-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.