Almarl
TL;DR: Almarl (CAS 41287-43-8) is a chemical compound with molecular formula C16H21ClN2O4S2 and molecular weight 404.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-4-[5-(2-sulfosulfanylethylamino)pentoxy]quinoline
Also Known As: Almarl, 7-chloro-4-[5-(2-sulfosulfanylethylamino)pentoxy]quinoline, S-2-((5-(7-Chloro-4-quinolyloxy)pentyl)amino)ethyl hydrogen thiosulfate, Ethanethiosulfuric acid, 2-(5-(7-chloro-4-quinolyloxy)pentyl)amino-, Thiosulfuric acid, S-(2-((5-(7-chloro-4-quinolyloxy)pentyl)amino)ethyl) ester
| Molecular Formula | C16H21ClN2O4S2 |
|---|---|
| Molecular Weight | 404.06 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 404.06314 |
| Heavy Atoms | 25 |
| Complexity | 475.0 |
Chemical Identifiers
| CAS Number | 41287-43-8 |
|---|---|
| SMILES | C1=CC2=C(C=CN=C2C=C1Cl)OCCCCCNCCSS(=O)(=O)O |
| InChIKey | CKQHXOCXLJZGSX-UHFFFAOYSA-N |
Product Overview
Almarl (CAS 41287-43-8), with molecular formula C16H21ClN2O4S2 and molecular weight 404.06 g/mol. IUPAC: 7-chloro-4-[5-(2-sulfosulfanylethylamino)pentoxy]quinoline.
Chemical Property Profile of Almarl
Property Insights of Almarl
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Almarl. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Almarl. Following Lipinski's Rule of Five, Almarl 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 Almarl?
The CAS number of Almarl is 41287-43-8.
What is the molecular formula of Almarl?
The molecular formula of Almarl is C16H21ClN2O4S2.
What is the molecular weight of Almarl?
The molecular weight of Almarl is 404.06 g/mol.
Where can I buy Almarl?
You can request a quote for Almarl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Almarl?
Yes, KEHONG BIO provides custom synthesis services for Almarl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.