![4-{2-[1-(2,3-dimethylphenyl)-1,2,3,4-tetraazol-5-ylthio]acetyl}-1,3,4-trihydro quinoxalin-2-one structure](/static/products/876/876940-72-6.png)
4-{2-[1-(2,3-dimethylphenyl)-1,2,3,4-tetraazol-5-ylthio]acetyl}-1,3,4-trihydro quinoxalin-2-one
TL;DR: 4-{2-[1-(2,3-dimethylphenyl)-1,2,3,4-tetraazol-5-ylthio]acetyl}-1,3,4-trihydro quinoxalin-2-one (CAS 876940-72-6) is a chemical compound with molecular formula C19H18N6O2S and molecular weight 394.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]-1,3-dihydroquinoxalin-2-one
Also Known As: 4-{2-[1-(2,3-dimethylphenyl)-1,2,3,4-tetraazol-5-ylthio]acetyl}-1,3,4-trihydro quinoxalin-2-one, 4-[2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]-1,3-dihydroquinoxalin-2-one
| Molecular Formula | C19H18N6O2S |
|---|---|
| Molecular Weight | 394.12 g/mol |
| LogP | 2.35654 |
| Topological Polar Surface Area | 93.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.1212 |
| Heavy Atoms | 28 |
| Complexity | 1064.0824 |
Chemical Identifiers
| CAS Number | 876940-72-6 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)N2C(=NN=N2)SCC(=O)N3CC(=O)NC4=CC=CC=C43)C |
Product Overview
4-{2-[1-(2,3-dimethylphenyl)-1,2,3,4-tetraazol-5-ylthio]acetyl}-1,3,4-trihydro quinoxalin-2-one (CAS 876940-72-6), with molecular formula C19H18N6O2S and molecular weight 394.12 g/mol. IUPAC: 4-[2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]-1,3-dihydroquinoxalin-2-one.
Chemical Property Profile of 4-{2-[1-(2,3-dimethylphenyl)-1,2,3,4-tetraazol-5-ylthio]acetyl}-1,3,4-trihydro quinoxalin-2-one
Property Insights of 4-{2-[1-(2,3-dimethylphenyl)-1,2,3,4-tetraazol-5-ylthio]acetyl}-1,3,4-trihydro quinoxalin-2-one
The XLogP value of 2.35654 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{2-[1-(2,3-dimethylphenyl)-1,2,3,4-tetraazol-5-ylthio]acetyl}-1,3,4-trihydro quinoxalin-2-one. The TPSA of 93.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{2-[1-(2,3-dimethylphenyl)-1,2,3,4-tetraazol-5-ylthio]acetyl}-1,3,4-trihydro quinoxalin-2-one. Following Lipinski's Rule of Five, 4-{2-[1-(2,3-dimethylphenyl)-1,2,3,4-tetraazol-5-ylthio]acetyl}-1,3,4-trihydro quinoxalin-2-one 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-{2-[1-(2,3-dimethylphenyl)-1,2,3,4-tetraazol-5-ylthio]acetyl}-1,3,4-trihydro quinoxalin-2-one?
The CAS number of 4-{2-[1-(2,3-dimethylphenyl)-1,2,3,4-tetraazol-5-ylthio]acetyl}-1,3,4-trihydro quinoxalin-2-one is 876940-72-6.
What is the molecular formula of 4-{2-[1-(2,3-dimethylphenyl)-1,2,3,4-tetraazol-5-ylthio]acetyl}-1,3,4-trihydro quinoxalin-2-one?
The molecular formula of 4-{2-[1-(2,3-dimethylphenyl)-1,2,3,4-tetraazol-5-ylthio]acetyl}-1,3,4-trihydro quinoxalin-2-one is C19H18N6O2S.
What is the molecular weight of 4-{2-[1-(2,3-dimethylphenyl)-1,2,3,4-tetraazol-5-ylthio]acetyl}-1,3,4-trihydro quinoxalin-2-one?
The molecular weight of 4-{2-[1-(2,3-dimethylphenyl)-1,2,3,4-tetraazol-5-ylthio]acetyl}-1,3,4-trihydro quinoxalin-2-one is 394.12 g/mol.
Where can I buy 4-{2-[1-(2,3-dimethylphenyl)-1,2,3,4-tetraazol-5-ylthio]acetyl}-1,3,4-trihydro quinoxalin-2-one?
You can request a quote for 4-{2-[1-(2,3-dimethylphenyl)-1,2,3,4-tetraazol-5-ylthio]acetyl}-1,3,4-trihydro quinoxalin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{2-[1-(2,3-dimethylphenyl)-1,2,3,4-tetraazol-5-ylthio]acetyl}-1,3,4-trihydro quinoxalin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-{2-[1-(2,3-dimethylphenyl)-1,2,3,4-tetraazol-5-ylthio]acetyl}-1,3,4-trihydro quinoxalin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.