RefChem:340470
TL;DR: RefChem:340470 (CAS 53761-47-0) is a chemical compound with molecular formula C18H26N2O4S2 and molecular weight 398.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethyl-2-[5-(2-sulfosulfanylethylamino)pentoxy]quinoline
Also Known As: S-2-((5-(4,6-Dimethyl-2-quinolyloxy)pentyl)amino)ethyl hydrogen thiosulfate, Ethanethiosulfuric acid, 2-(5-(4,6-dimethyl-2-quinolyloxy)pentyl)amino-, Ethanethiol, 2-(5-(4,6-dimethyl-2-quinolyloxy)pentyl)amino-, hydrogen sulfate (ester), Thiosulfuric acid, S-(2-((5-(4,6-dimethyl-2-quinolyloxy)pentyl)amino)ethyl) ester, s-[2-({5-[(4,6-dimethylquinolin-2-yl)oxy]pentyl}amino)ethyl] hydrogen sulfurothioate
| Molecular Formula | C18H26N2O4S2 |
|---|---|
| Molecular Weight | 398.13 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 398.1334 |
| Heavy Atoms | 26 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 53761-47-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(C=C2C)OCCCCCNCCSS(=O)(=O)O |
| InChIKey | GKOVMTHKJDWVMC-UHFFFAOYSA-N |
Product Overview
RefChem:340470 (CAS 53761-47-0), with molecular formula C18H26N2O4S2 and molecular weight 398.13 g/mol. IUPAC: 4,6-dimethyl-2-[5-(2-sulfosulfanylethylamino)pentoxy]quinoline.
Chemical Property Profile of RefChem:340470
Property Insights of RefChem:340470
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:340470. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:340470. Following Lipinski's Rule of Five, RefChem:340470 has 2 hydrogen bond donor(s) and 7 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 RefChem:340470?
The CAS number of RefChem:340470 is 53761-47-0.
What is the molecular formula of RefChem:340470?
The molecular formula of RefChem:340470 is C18H26N2O4S2.
What is the molecular weight of RefChem:340470?
The molecular weight of RefChem:340470 is 398.13 g/mol.
Where can I buy RefChem:340470?
You can request a quote for RefChem:340470 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:340470?
Yes, KEHONG BIO provides custom synthesis services for RefChem:340470 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.