3-Mercapto-1lambda(5),4lambda(5)-quinoxaline-1,2,4-triol
TL;DR: 3-Mercapto-1lambda(5),4lambda(5)-quinoxaline-1,2,4-triol (CAS 55817-18-0) is a chemical compound with molecular formula C8H6N2O3S and molecular weight 210.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dihydroxy-3-sulfanylidenequinoxalin-2-one
Also Known As: 3-Mercapto-1lambda(5),4lambda(5)-quinoxaline-1,2,4-triol, 1,4-dihydroxy-3-sulfanylidenequinoxalin-2-one, 1,4-dioxido-3-sulfanyl-quinoxaline-1,4-diium-2-ol, 3-Mercapto-1.lambda.~5~,4.lambda.~5~-quinoxaline-1,2,4-triol
| Molecular Formula | C8H6N2O3S |
|---|---|
| Molecular Weight | 210.01 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 96.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 210.00992 |
| Heavy Atoms | 14 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 55817-18-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(C(=O)C(=S)N2O)O |
| InChIKey | OFUCBBLZPZPPHH-UHFFFAOYSA-N |
Product Overview
3-Mercapto-1lambda(5),4lambda(5)-quinoxaline-1,2,4-triol (CAS 55817-18-0), with molecular formula C8H6N2O3S and molecular weight 210.01 g/mol. IUPAC: 1,4-dihydroxy-3-sulfanylidenequinoxalin-2-one.
Chemical Property Profile of 3-Mercapto-1lambda(5),4lambda(5)-quinoxaline-1,2,4-triol
Property Insights of 3-Mercapto-1lambda(5),4lambda(5)-quinoxaline-1,2,4-triol
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Mercapto-1lambda(5),4lambda(5)-quinoxaline-1,2,4-triol. The TPSA of 96.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Mercapto-1lambda(5),4lambda(5)-quinoxaline-1,2,4-triol. Following Lipinski's Rule of Five, 3-Mercapto-1lambda(5),4lambda(5)-quinoxaline-1,2,4-triol has 2 hydrogen bond donor(s) and 4 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 3-Mercapto-1lambda(5),4lambda(5)-quinoxaline-1,2,4-triol?
The CAS number of 3-Mercapto-1lambda(5),4lambda(5)-quinoxaline-1,2,4-triol is 55817-18-0.
What is the molecular formula of 3-Mercapto-1lambda(5),4lambda(5)-quinoxaline-1,2,4-triol?
The molecular formula of 3-Mercapto-1lambda(5),4lambda(5)-quinoxaline-1,2,4-triol is C8H6N2O3S.
What is the molecular weight of 3-Mercapto-1lambda(5),4lambda(5)-quinoxaline-1,2,4-triol?
The molecular weight of 3-Mercapto-1lambda(5),4lambda(5)-quinoxaline-1,2,4-triol is 210.01 g/mol.
Where can I buy 3-Mercapto-1lambda(5),4lambda(5)-quinoxaline-1,2,4-triol?
You can request a quote for 3-Mercapto-1lambda(5),4lambda(5)-quinoxaline-1,2,4-triol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Mercapto-1lambda(5),4lambda(5)-quinoxaline-1,2,4-triol?
Yes, KEHONG BIO provides custom synthesis services for 3-Mercapto-1lambda(5),4lambda(5)-quinoxaline-1,2,4-triol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.