![3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-10-methyl-1-(2-phenylethyl)-1,6-dihyd ropyridino[2,3-d]pyridino[1,2-a]pyrimidin-5-one structure](/static/products/853/853753-74-9.png)
3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-10-methyl-1-(2-phenylethyl)-1,6-dihyd ropyridino[2,3-d]pyridino[1,2-a]pyrimidin-5-one
TL;DR: 3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-10-methyl-1-(2-phenylethyl)-1,6-dihyd ropyridino[2,3-d]pyridino[1,2-a]pyrimidin-5-one (CAS 853753-74-9) is a chemical compound with molecular formula C28H26N4O3S and molecular weight 498.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,4-dimethylphenyl)sulfonyl-6-imino-11-methyl-7-(2-phenylethyl)-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-10-methyl-1-(2-phenylethyl)-1,6-dihyd ropyridino[2,3-d]pyridino[1,2-a]pyrimidin-5-one, 3-((3,4-dimethylphenyl)sulfonyl)-2-imino-10-methyl-1-phenethyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one, 3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-10-methyl-1-(2-phenylethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
| Molecular Formula | C28H26N4O3S |
|---|---|
| Molecular Weight | 498.17 g/mol |
| LogP | 4.12943 |
| Topological Polar Surface Area | 97.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 498.17258 |
| Heavy Atoms | 36 |
| Complexity | 1871.627 |
Chemical Identifiers
| CAS Number | 853753-74-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)C2=CC3=C(N=C4C(=CC=CN4C3=O)C)N(C2=N)CCC5=CC=CC=C5)C |
Product Overview
3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-10-methyl-1-(2-phenylethyl)-1,6-dihyd ropyridino[2,3-d]pyridino[1,2-a]pyrimidin-5-one (CAS 853753-74-9), with molecular formula C28H26N4O3S and molecular weight 498.17 g/mol. IUPAC: 5-(3,4-dimethylphenyl)sulfonyl-6-imino-11-methyl-7-(2-phenylethyl)-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-10-methyl-1-(2-phenylethyl)-1,6-dihyd ropyridino[2,3-d]pyridino[1,2-a]pyrimidin-5-one
Property Insights of 3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-10-methyl-1-(2-phenylethyl)-1,6-dihyd ropyridino[2,3-d]pyridino[1,2-a]pyrimidin-5-one
The XLogP value of 4.12943 indicates that 3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-10-methyl-1-(2-phenylethyl)-1,6-dihyd ropyridino[2,3-d]pyridino[1,2-a]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-10-methyl-1-(2-phenylethyl)-1,6-dihyd ropyridino[2,3-d]pyridino[1,2-a]pyrimidin-5-one. Following Lipinski's Rule of Five, 3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-10-methyl-1-(2-phenylethyl)-1,6-dihyd ropyridino[2,3-d]pyridino[1,2-a]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-10-methyl-1-(2-phenylethyl)-1,6-dihyd ropyridino[2,3-d]pyridino[1,2-a]pyrimidin-5-one?
The CAS number of 3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-10-methyl-1-(2-phenylethyl)-1,6-dihyd ropyridino[2,3-d]pyridino[1,2-a]pyrimidin-5-one is 853753-74-9.
What is the molecular formula of 3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-10-methyl-1-(2-phenylethyl)-1,6-dihyd ropyridino[2,3-d]pyridino[1,2-a]pyrimidin-5-one?
The molecular formula of 3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-10-methyl-1-(2-phenylethyl)-1,6-dihyd ropyridino[2,3-d]pyridino[1,2-a]pyrimidin-5-one is C28H26N4O3S.
What is the molecular weight of 3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-10-methyl-1-(2-phenylethyl)-1,6-dihyd ropyridino[2,3-d]pyridino[1,2-a]pyrimidin-5-one?
The molecular weight of 3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-10-methyl-1-(2-phenylethyl)-1,6-dihyd ropyridino[2,3-d]pyridino[1,2-a]pyrimidin-5-one is 498.17 g/mol.
Where can I buy 3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-10-methyl-1-(2-phenylethyl)-1,6-dihyd ropyridino[2,3-d]pyridino[1,2-a]pyrimidin-5-one?
You can request a quote for 3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-10-methyl-1-(2-phenylethyl)-1,6-dihyd ropyridino[2,3-d]pyridino[1,2-a]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-10-methyl-1-(2-phenylethyl)-1,6-dihyd ropyridino[2,3-d]pyridino[1,2-a]pyrimidin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-10-methyl-1-(2-phenylethyl)-1,6-dihyd ropyridino[2,3-d]pyridino[1,2-a]pyrimidin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.