![3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-1-benzyl-1,6-dihydropyridino[1,2-a]py ridino[2,3-d]pyrimidin-5-one structure](/static/products/853/853753-19-2.png)
3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-1-benzyl-1,6-dihydropyridino[1,2-a]py ridino[2,3-d]pyrimidin-5-one
TL;DR: 3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-1-benzyl-1,6-dihydropyridino[1,2-a]py ridino[2,3-d]pyrimidin-5-one (CAS 853753-19-2) is a chemical compound with molecular formula C26H22N4O3S and molecular weight 470.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-benzyl-5-(3,4-dimethylphenyl)sulfonyl-6-imino-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
Also Known As: 3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-1-benzyl-1,6-dihydropyridino[1,2-a]py ridino[2,3-d]pyrimidin-5-one, 1-benzyl-3-((3,4-dimethylphenyl)sulfonyl)-2-imino-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one, 1-benzyl-3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
| Molecular Formula | C26H22N4O3S |
|---|---|
| Molecular Weight | 470.14 g/mol |
| LogP | 3.62661 |
| Topological Polar Surface Area | 97.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 470.14127 |
| Heavy Atoms | 34 |
| Complexity | 1804.3074 |
Chemical Identifiers
| CAS Number | 853753-19-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CC5=CC=CC=C5)C |
Product Overview
3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-1-benzyl-1,6-dihydropyridino[1,2-a]py ridino[2,3-d]pyrimidin-5-one (CAS 853753-19-2), with molecular formula C26H22N4O3S and molecular weight 470.14 g/mol. IUPAC: 7-benzyl-5-(3,4-dimethylphenyl)sulfonyl-6-imino-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one.
Chemical Property Profile of 3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-1-benzyl-1,6-dihydropyridino[1,2-a]py ridino[2,3-d]pyrimidin-5-one
Property Insights of 3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-1-benzyl-1,6-dihydropyridino[1,2-a]py ridino[2,3-d]pyrimidin-5-one
The XLogP value of 3.62661 indicates that 3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-1-benzyl-1,6-dihydropyridino[1,2-a]py ridino[2,3-d]pyrimidin-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-1-benzyl-1,6-dihydropyridino[1,2-a]py ridino[2,3-d]pyrimidin-5-one. Following Lipinski's Rule of Five, 3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-1-benzyl-1,6-dihydropyridino[1,2-a]py ridino[2,3-d]pyrimidin-5-one has 1 hydrogen bond donor(s) and 5 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-[(3,4-dimethylphenyl)sulfonyl]-2-imino-1-benzyl-1,6-dihydropyridino[1,2-a]py ridino[2,3-d]pyrimidin-5-one?
The CAS number of 3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-1-benzyl-1,6-dihydropyridino[1,2-a]py ridino[2,3-d]pyrimidin-5-one is 853753-19-2.
What is the molecular formula of 3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-1-benzyl-1,6-dihydropyridino[1,2-a]py ridino[2,3-d]pyrimidin-5-one?
The molecular formula of 3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-1-benzyl-1,6-dihydropyridino[1,2-a]py ridino[2,3-d]pyrimidin-5-one is C26H22N4O3S.
What is the molecular weight of 3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-1-benzyl-1,6-dihydropyridino[1,2-a]py ridino[2,3-d]pyrimidin-5-one?
The molecular weight of 3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-1-benzyl-1,6-dihydropyridino[1,2-a]py ridino[2,3-d]pyrimidin-5-one is 470.14 g/mol.
Where can I buy 3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-1-benzyl-1,6-dihydropyridino[1,2-a]py ridino[2,3-d]pyrimidin-5-one?
You can request a quote for 3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-1-benzyl-1,6-dihydropyridino[1,2-a]py ridino[2,3-d]pyrimidin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-1-benzyl-1,6-dihydropyridino[1,2-a]py ridino[2,3-d]pyrimidin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-1-benzyl-1,6-dihydropyridino[1,2-a]py ridino[2,3-d]pyrimidin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.