S-(2-((2-(5-methoxy-1H-indol-3-yl)ethyl)amino)ethyl) O-hydrogen sulfothioate
TL;DR: S-(2-((2-(5-methoxy-1H-indol-3-yl)ethyl)amino)ethyl) O-hydrogen sulfothioate (CAS 363590-46-9) is a chemical compound with molecular formula C13H18N2O4S2 and molecular weight 330.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxy-3-[2-(2-sulfosulfanylethylamino)ethyl]-1H-indole
Also Known As: BAS 02077993, 5-methoxy-3-[2-(2-sulfosulfanylethylamino)ethyl]-1H-indole, S-(2-((2-(5-methoxy-1H-indol-3-yl)ethyl)amino)ethyl) O-hydrogen sulfothioate, S-(2-{[2-(5-methoxy-1H-indol-3-yl)ethyl]amino}ethyl) hydrogen sulfurothioate, Thiosulfuric acid S-{2-[2-(5-methoxy-1H-indol-3-yl)-ethylamino]-ethyl} ester
| Molecular Formula | C13H18N2O4S2 |
|---|---|
| Molecular Weight | 330.07 g/mol |
| LogP | 1.8446 |
| Topological Polar Surface Area | 91.42 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 330.0708 |
| Heavy Atoms | 21 |
| Complexity | 697.2592 |
Chemical Identifiers
| CAS Number | 363590-46-9 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)NC=C2CCNCCSS(=O)(=O)O |
Product Overview
S-(2-((2-(5-methoxy-1H-indol-3-yl)ethyl)amino)ethyl) O-hydrogen sulfothioate (CAS 363590-46-9), with molecular formula C13H18N2O4S2 and molecular weight 330.07 g/mol. IUPAC: 5-methoxy-3-[2-(2-sulfosulfanylethylamino)ethyl]-1H-indole.
Chemical Property Profile of S-(2-((2-(5-methoxy-1H-indol-3-yl)ethyl)amino)ethyl) O-hydrogen sulfothioate
Property Insights of S-(2-((2-(5-methoxy-1H-indol-3-yl)ethyl)amino)ethyl) O-hydrogen sulfothioate
The XLogP value of 1.8446 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(2-((2-(5-methoxy-1H-indol-3-yl)ethyl)amino)ethyl) O-hydrogen sulfothioate. The TPSA of 91.42 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(2-((2-(5-methoxy-1H-indol-3-yl)ethyl)amino)ethyl) O-hydrogen sulfothioate. Following Lipinski's Rule of Five, S-(2-((2-(5-methoxy-1H-indol-3-yl)ethyl)amino)ethyl) O-hydrogen sulfothioate has 3 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-((2-(5-methoxy-1H-indol-3-yl)ethyl)amino)ethyl) O-hydrogen sulfothioate?
The CAS number of S-(2-((2-(5-methoxy-1H-indol-3-yl)ethyl)amino)ethyl) O-hydrogen sulfothioate is 363590-46-9.
What is the molecular formula of S-(2-((2-(5-methoxy-1H-indol-3-yl)ethyl)amino)ethyl) O-hydrogen sulfothioate?
The molecular formula of S-(2-((2-(5-methoxy-1H-indol-3-yl)ethyl)amino)ethyl) O-hydrogen sulfothioate is C13H18N2O4S2.
What is the molecular weight of S-(2-((2-(5-methoxy-1H-indol-3-yl)ethyl)amino)ethyl) O-hydrogen sulfothioate?
The molecular weight of S-(2-((2-(5-methoxy-1H-indol-3-yl)ethyl)amino)ethyl) O-hydrogen sulfothioate is 330.07 g/mol.
Where can I buy S-(2-((2-(5-methoxy-1H-indol-3-yl)ethyl)amino)ethyl) O-hydrogen sulfothioate?
You can request a quote for S-(2-((2-(5-methoxy-1H-indol-3-yl)ethyl)amino)ethyl) O-hydrogen sulfothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(2-((2-(5-methoxy-1H-indol-3-yl)ethyl)amino)ethyl) O-hydrogen sulfothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(2-((2-(5-methoxy-1H-indol-3-yl)ethyl)amino)ethyl) O-hydrogen sulfothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.