Benzoic acid, 2-(((((3,4-dihydro-4-methyl-6-(methylthio)-3-oxopyrazinyl)amino)carbonyl)amino)sulfonyl)-, methyl ester
TL;DR: Benzoic acid, 2-(((((3,4-dihydro-4-methyl-6-(methylthio)-3-oxopyrazinyl)amino)carbonyl)amino)sulfonyl)-, methyl ester (CAS 120911-82-2) is a chemical compound with molecular formula C15H16N4O6S2 and molecular weight 412.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-methyl-6-methylsulfanyl-3-oxopyrazin-2-yl)carbamoylsulfamoyl]benzoate
Also Known As: Benzoic acid, 2-(((((3,4-dihydro-4-methyl-6-(methylthio)-3-oxopyrazinyl)amino)carbonyl)amino)sulfonyl)-, methyl ester, Benzoic acid,2-[[[[[3,4-dihydro-4-methyl-6-(methylthio)-3-oxo-2-pyrazinyl]amino]carbonyl]amino]sulfonyl]-,methyl ester, Methyl 2-[(4-methyl-6-methylsulfanyl-3-oxo-pyrazin-2-yl)carbamoylsulfamoyl]benzoate, methyl 2-[(4-methyl-6-methylsulfanyl-3-oxopyrazin-2-yl)carbamoylsulfamoyl]benzoate, Methyl 2-({[4-methyl-6-(methylsulfanyl)-3-oxo-3,4-dihydropyrazin-2-yl]carbamoyl}sulfamoyl)benzoate
| Molecular Formula | C15H16N4O6S2 |
|---|---|
| Molecular Weight | 412.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 168.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.05112 |
| Heavy Atoms | 27 |
| Complexity | 787.0 |
Chemical Identifiers
| CAS Number | 120911-82-2 |
|---|---|
| SMILES | CN1C=C(N=C(C1=O)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)SC |
| InChIKey | LTUUZXNEDMGFSM-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 2-(((((3,4-dihydro-4-methyl-6-(methylthio)-3-oxopyrazinyl)amino)carbonyl)amino)sulfonyl)-, methyl ester (CAS 120911-82-2), with molecular formula C15H16N4O6S2 and molecular weight 412.05 g/mol. IUPAC: methyl 2-[(4-methyl-6-methylsulfanyl-3-oxopyrazin-2-yl)carbamoylsulfamoyl]benzoate.
Chemical Property Profile of Benzoic acid, 2-(((((3,4-dihydro-4-methyl-6-(methylthio)-3-oxopyrazinyl)amino)carbonyl)amino)sulfonyl)-, methyl ester
Property Insights of Benzoic acid, 2-(((((3,4-dihydro-4-methyl-6-(methylthio)-3-oxopyrazinyl)amino)carbonyl)amino)sulfonyl)-, methyl ester
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-(((((3,4-dihydro-4-methyl-6-(methylthio)-3-oxopyrazinyl)amino)carbonyl)amino)sulfonyl)-, methyl ester. The TPSA of 168.0 Ų indicates high polarity, suggesting Benzoic acid, 2-(((((3,4-dihydro-4-methyl-6-(methylthio)-3-oxopyrazinyl)amino)carbonyl)amino)sulfonyl)-, methyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzoic acid, 2-(((((3,4-dihydro-4-methyl-6-(methylthio)-3-oxopyrazinyl)amino)carbonyl)amino)sulfonyl)-, methyl ester has 2 hydrogen bond donor(s) and 8 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 Benzoic acid, 2-(((((3,4-dihydro-4-methyl-6-(methylthio)-3-oxopyrazinyl)amino)carbonyl)amino)sulfonyl)-, methyl ester?
The CAS number of Benzoic acid, 2-(((((3,4-dihydro-4-methyl-6-(methylthio)-3-oxopyrazinyl)amino)carbonyl)amino)sulfonyl)-, methyl ester is 120911-82-2.
What is the molecular formula of Benzoic acid, 2-(((((3,4-dihydro-4-methyl-6-(methylthio)-3-oxopyrazinyl)amino)carbonyl)amino)sulfonyl)-, methyl ester?
The molecular formula of Benzoic acid, 2-(((((3,4-dihydro-4-methyl-6-(methylthio)-3-oxopyrazinyl)amino)carbonyl)amino)sulfonyl)-, methyl ester is C15H16N4O6S2.
What is the molecular weight of Benzoic acid, 2-(((((3,4-dihydro-4-methyl-6-(methylthio)-3-oxopyrazinyl)amino)carbonyl)amino)sulfonyl)-, methyl ester?
The molecular weight of Benzoic acid, 2-(((((3,4-dihydro-4-methyl-6-(methylthio)-3-oxopyrazinyl)amino)carbonyl)amino)sulfonyl)-, methyl ester is 412.05 g/mol.
Where can I buy Benzoic acid, 2-(((((3,4-dihydro-4-methyl-6-(methylthio)-3-oxopyrazinyl)amino)carbonyl)amino)sulfonyl)-, methyl ester?
You can request a quote for Benzoic acid, 2-(((((3,4-dihydro-4-methyl-6-(methylthio)-3-oxopyrazinyl)amino)carbonyl)amino)sulfonyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-(((((3,4-dihydro-4-methyl-6-(methylthio)-3-oxopyrazinyl)amino)carbonyl)amino)sulfonyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-(((((3,4-dihydro-4-methyl-6-(methylthio)-3-oxopyrazinyl)amino)carbonyl)amino)sulfonyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.