![2-[3-(Carboxymethylthio)quinoxalin-2-ylthio]acetic acid structure](/static/products/100/100136-79-6.png)
2-[3-(Carboxymethylthio)quinoxalin-2-ylthio]acetic acid
TL;DR: 2-[3-(Carboxymethylthio)quinoxalin-2-ylthio]acetic acid (CAS 100136-79-6) is a chemical compound with molecular formula C12H10N2O4S2 and molecular weight 310.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(carboxymethylsulfanyl)quinoxalin-2-yl]sulfanylacetic acid
Also Known As: IFLab1_000630, IDI1_008849, 2-[3-(carboxymethylthio)quinoxalin-2-ylthio]acetic acid, (3-Carboxymethylsulfanyl-quinoxalin-2-ylsulfanyl)-acetic acid, 2-[3-(carboxymethylsulfanyl)quinoxalin-2-yl]sulfanylacetic acid
| Molecular Formula | C12H10N2O4S2 |
|---|---|
| Molecular Weight | 310.01 g/mol |
| LogP | 1.9832 |
| Topological Polar Surface Area | 100.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 310.0082 |
| Heavy Atoms | 20 |
| Complexity | 606.44745 |
Chemical Identifiers
| CAS Number | 100136-79-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(C(=N2)SCC(=O)O)SCC(=O)O |
Product Overview
2-[3-(Carboxymethylthio)quinoxalin-2-ylthio]acetic acid (CAS 100136-79-6), with molecular formula C12H10N2O4S2 and molecular weight 310.01 g/mol. IUPAC: 2-[3-(carboxymethylsulfanyl)quinoxalin-2-yl]sulfanylacetic acid.
Chemical Property Profile of 2-[3-(Carboxymethylthio)quinoxalin-2-ylthio]acetic acid
Property Insights of 2-[3-(Carboxymethylthio)quinoxalin-2-ylthio]acetic acid
The XLogP value of 1.9832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[3-(Carboxymethylthio)quinoxalin-2-ylthio]acetic acid. The TPSA of 100.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-(Carboxymethylthio)quinoxalin-2-ylthio]acetic acid. Following Lipinski's Rule of Five, 2-[3-(Carboxymethylthio)quinoxalin-2-ylthio]acetic acid has 2 hydrogen bond donor(s) and 6 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 2-[3-(Carboxymethylthio)quinoxalin-2-ylthio]acetic acid?
The CAS number of 2-[3-(Carboxymethylthio)quinoxalin-2-ylthio]acetic acid is 100136-79-6.
What is the molecular formula of 2-[3-(Carboxymethylthio)quinoxalin-2-ylthio]acetic acid?
The molecular formula of 2-[3-(Carboxymethylthio)quinoxalin-2-ylthio]acetic acid is C12H10N2O4S2.
What is the molecular weight of 2-[3-(Carboxymethylthio)quinoxalin-2-ylthio]acetic acid?
The molecular weight of 2-[3-(Carboxymethylthio)quinoxalin-2-ylthio]acetic acid is 310.01 g/mol.
Where can I buy 2-[3-(Carboxymethylthio)quinoxalin-2-ylthio]acetic acid?
You can request a quote for 2-[3-(Carboxymethylthio)quinoxalin-2-ylthio]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-(Carboxymethylthio)quinoxalin-2-ylthio]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(Carboxymethylthio)quinoxalin-2-ylthio]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.