S-2-((4-(9,10-Dihydro-2-phenanthryl)butyl)amino)ethyl thiosulfate
TL;DR: S-2-((4-(9,10-Dihydro-2-phenanthryl)butyl)amino)ethyl thiosulfate (CAS 24164-19-0) is a chemical compound with molecular formula C20H25NO3S2 and molecular weight 391.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2-sulfosulfanylethylamino)butyl]-9,10-dihydrophenanthrene
Also Known As: S-2-((4-(9,10-Dihydro-2-phenanthryl)butyl)amino)ethyl thiosulfate, 2-((4-(9,10-Dihydro-2-phenanthryl)butyl)amino)ethanethiol hydrogen sulfate (ester), Ethanethiol, 2-(4-(9,10-dihydro-2-phenanthryl)butyl)amino-, hydrogen sulfate (ester), s-(2-{[4-(9,10-dihydrophenanthren-2-yl)butyl]amino}ethyl) hydrogen sulfurothioate, 2-[4-(2-sulfosulfanylethylamino)butyl]-9,10-dihydrophenanthrene
| Molecular Formula | C20H25NO3S2 |
|---|---|
| Molecular Weight | 391.13 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 391.1276 |
| Heavy Atoms | 26 |
| Complexity | 520.0 |
Chemical Identifiers
| CAS Number | 24164-19-0 |
|---|---|
| SMILES | C1CC2=C(C=CC(=C2)CCCCNCCSS(=O)(=O)O)C3=CC=CC=C31 |
| InChIKey | IMWBCRPNDCWHIF-UHFFFAOYSA-N |
Product Overview
S-2-((4-(9,10-Dihydro-2-phenanthryl)butyl)amino)ethyl thiosulfate (CAS 24164-19-0), with molecular formula C20H25NO3S2 and molecular weight 391.13 g/mol. IUPAC: 2-[4-(2-sulfosulfanylethylamino)butyl]-9,10-dihydrophenanthrene.
Chemical Property Profile of S-2-((4-(9,10-Dihydro-2-phenanthryl)butyl)amino)ethyl thiosulfate
Property Insights of S-2-((4-(9,10-Dihydro-2-phenanthryl)butyl)amino)ethyl thiosulfate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-2-((4-(9,10-Dihydro-2-phenanthryl)butyl)amino)ethyl thiosulfate. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-2-((4-(9,10-Dihydro-2-phenanthryl)butyl)amino)ethyl thiosulfate. Following Lipinski's Rule of Five, S-2-((4-(9,10-Dihydro-2-phenanthryl)butyl)amino)ethyl thiosulfate has 2 hydrogen bond donor(s) and 5 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 S-2-((4-(9,10-Dihydro-2-phenanthryl)butyl)amino)ethyl thiosulfate?
The CAS number of S-2-((4-(9,10-Dihydro-2-phenanthryl)butyl)amino)ethyl thiosulfate is 24164-19-0.
What is the molecular formula of S-2-((4-(9,10-Dihydro-2-phenanthryl)butyl)amino)ethyl thiosulfate?
The molecular formula of S-2-((4-(9,10-Dihydro-2-phenanthryl)butyl)amino)ethyl thiosulfate is C20H25NO3S2.
What is the molecular weight of S-2-((4-(9,10-Dihydro-2-phenanthryl)butyl)amino)ethyl thiosulfate?
The molecular weight of S-2-((4-(9,10-Dihydro-2-phenanthryl)butyl)amino)ethyl thiosulfate is 391.13 g/mol.
Where can I buy S-2-((4-(9,10-Dihydro-2-phenanthryl)butyl)amino)ethyl thiosulfate?
You can request a quote for S-2-((4-(9,10-Dihydro-2-phenanthryl)butyl)amino)ethyl thiosulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-2-((4-(9,10-Dihydro-2-phenanthryl)butyl)amino)ethyl thiosulfate?
Yes, KEHONG BIO provides custom synthesis services for S-2-((4-(9,10-Dihydro-2-phenanthryl)butyl)amino)ethyl thiosulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.