RefChem:339209
TL;DR: RefChem:339209 (CAS 38920-81-9) is a chemical compound with molecular formula C30H50Cl2N2O2S2 and molecular weight 604.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,3,6-trimethylphenoxy)butyl-[2-[2-[4-(2,3,6-trimethylphenoxy)butylazaniumyl]ethyldisulfanyl]ethyl]azanium dichloride
Also Known As: Disulfide, bis(2-((4-(2,3,6-trimethylphenoxy)butyl)amino)ethyl)-, dihydrochloride, Bis-2-((4-(2,3,6-trimethylphenoxy)butyl)amino)ethyldisulfide, dihydrochloride, N,N'-Dithiodiethylenebis(4-(2,3,6-trimethylphenoxy)butylamine) dihydrochloride, Butylamine, N,N'-dithiodiethylenebis(4-(2,3,6-trimethylphenoxy)-, dihydrochloride, 4-(2,3,6-Trimethylphenoxy)butyl-[2-[2-[4-(2,3,6-trimethylphenoxy)butylazaniumyl]ethyldisulfanyl]ethyl]azaniumdichloride
| Molecular Formula | C30H50Cl2N2O2S2 |
|---|---|
| Molecular Weight | 604.27 g/mol |
| LogP | -0.93 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 19 |
| Exact Mass | 604.2691 |
| Heavy Atoms | 38 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 38920-81-9 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)C)OCCCC[NH2+]CCSSCC[NH2+]CCCCOC2=C(C=CC(=C2C)C)C)C.[Cl-].[Cl-] |
| InChIKey | PDWAYYLBRZQQMN-UHFFFAOYSA-N |
Product Overview
RefChem:339209 (CAS 38920-81-9), with molecular formula C30H50Cl2N2O2S2 and molecular weight 604.27 g/mol. IUPAC: 4-(2,3,6-trimethylphenoxy)butyl-[2-[2-[4-(2,3,6-trimethylphenoxy)butylazaniumyl]ethyldisulfanyl]ethyl]azanium dichloride.
Chemical Property Profile of RefChem:339209
Property Insights of RefChem:339209
The XLogP value of -0.93 indicates that RefChem:339209 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:339209. Following Lipinski's Rule of Five, RefChem:339209 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 RefChem:339209?
The CAS number of RefChem:339209 is 38920-81-9.
What is the molecular formula of RefChem:339209?
The molecular formula of RefChem:339209 is C30H50Cl2N2O2S2.
What is the molecular weight of RefChem:339209?
The molecular weight of RefChem:339209 is 604.27 g/mol.
Where can I buy RefChem:339209?
You can request a quote for RefChem:339209 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:339209?
Yes, KEHONG BIO provides custom synthesis services for RefChem:339209 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.