![4-{[(5,7-Dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetyl}-3,4-dihydro-2(1H)-quinoxalinone structure](/static/products/6061/606121-11-3.webp)
4-{[(5,7-Dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetyl}-3,4-dihydro-2(1H)-quinoxalinone
TL;DR: 4-{[(5,7-Dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetyl}-3,4-dihydro-2(1H)-quinoxalinone (CAS 606121-11-3) is a chemical compound with molecular formula C17H16N6O2S and molecular weight 368.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
Also Known As: 4-{[(5,7-Dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetyl}-3,4-dihydro-2(1H)-quinoxalinone, 2(1H)-QUINOXALINONE, 4-[[(5,7-DIMETHYL-1,2,4-TRIAZOLO[4,3-A]PYRIMIDIN-3-YL)THIO]ACETYL]-3,4-DIHYDRO-, 2(1H)-Quinoxalinone, 4-[[(5,7-dimethyl-1,2,4-triazolo[4,3-a]pyrimidin-3-yl)thio]acetyl]-3,4-dihydro- (9CI), 4-[2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
| Molecular Formula | C17H16N6O2S |
|---|---|
| Molecular Weight | 368.11 g/mol |
| LogP | 1.81854 |
| Topological Polar Surface Area | 92.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 368.10553 |
| Heavy Atoms | 26 |
| Complexity | 1031.265 |
Chemical Identifiers
| CAS Number | 606121-11-3 |
|---|---|
| SMILES | CC1=CC(=NC2=NN=C(N12)SCC(=O)N3CC(=O)NC4=CC=CC=C43)C |
Product Overview
4-{[(5,7-Dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetyl}-3,4-dihydro-2(1H)-quinoxalinone (CAS 606121-11-3), with molecular formula C17H16N6O2S and molecular weight 368.11 g/mol. IUPAC: 4-[2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one.
Chemical Property Profile of 4-{[(5,7-Dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetyl}-3,4-dihydro-2(1H)-quinoxalinone
Property Insights of 4-{[(5,7-Dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetyl}-3,4-dihydro-2(1H)-quinoxalinone
The XLogP value of 1.81854 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[(5,7-Dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetyl}-3,4-dihydro-2(1H)-quinoxalinone. The TPSA of 92.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(5,7-Dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetyl}-3,4-dihydro-2(1H)-quinoxalinone. Following Lipinski's Rule of Five, 4-{[(5,7-Dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetyl}-3,4-dihydro-2(1H)-quinoxalinone has 1 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 4-{[(5,7-Dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetyl}-3,4-dihydro-2(1H)-quinoxalinone?
The CAS number of 4-{[(5,7-Dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetyl}-3,4-dihydro-2(1H)-quinoxalinone is 606121-11-3.
What is the molecular formula of 4-{[(5,7-Dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetyl}-3,4-dihydro-2(1H)-quinoxalinone?
The molecular formula of 4-{[(5,7-Dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetyl}-3,4-dihydro-2(1H)-quinoxalinone is C17H16N6O2S.
What is the molecular weight of 4-{[(5,7-Dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetyl}-3,4-dihydro-2(1H)-quinoxalinone?
The molecular weight of 4-{[(5,7-Dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetyl}-3,4-dihydro-2(1H)-quinoxalinone is 368.11 g/mol.
Where can I buy 4-{[(5,7-Dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetyl}-3,4-dihydro-2(1H)-quinoxalinone?
You can request a quote for 4-{[(5,7-Dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetyl}-3,4-dihydro-2(1H)-quinoxalinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[(5,7-Dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetyl}-3,4-dihydro-2(1H)-quinoxalinone?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(5,7-Dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetyl}-3,4-dihydro-2(1H)-quinoxalinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.