![2-imino-10-methyl-1-(4-methylbenzyl)-3-tosyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one structure](/static/products/6081/608104-31-0.webp)
2-imino-10-methyl-1-(4-methylbenzyl)-3-tosyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one
TL;DR: 2-imino-10-methyl-1-(4-methylbenzyl)-3-tosyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one (CAS 608104-31-0) is a chemical compound with molecular formula C27H24N4O3S and molecular weight 484.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-imino-11-methyl-7-[(4-methylphenyl)methyl]-5-(4-methylphenyl)sulfonyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
Also Known As: 2-imino-10-methyl-1-(4-methylbenzyl)-3-tosyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one, 2-Imino-10-methyl-1-[(4-methylphenyl)methyl]-3-[(4-methylphenyl)sulfonyl]-1,6-dihydropyridino[2,3-d]pyridino[1,2-a]pyrimidin-5-one, 2-imino-10-methyl-1-(4-methylbenzyl)-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one, 2-imino-10-methyl-1-[(4-methylphenyl)methyl]-3-[(4-methylphenyl)sulfonyl]-1,6- dihydropyridino[2,3-d]pyridino[1,2-a]pyrimidin-5-one
| Molecular Formula | C27H24N4O3S |
|---|---|
| Molecular Weight | 484.16 g/mol |
| LogP | 3.93503 |
| Topological Polar Surface Area | 97.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 484.15692 |
| Heavy Atoms | 35 |
| Complexity | 1833.8956 |
Chemical Identifiers
| CAS Number | 608104-31-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C3=C(C=C(C2=N)S(=O)(=O)C4=CC=C(C=C4)C)C(=O)N5C=CC=C(C5=N3)C |
Product Overview
2-imino-10-methyl-1-(4-methylbenzyl)-3-tosyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one (CAS 608104-31-0), with molecular formula C27H24N4O3S and molecular weight 484.16 g/mol. IUPAC: 6-imino-11-methyl-7-[(4-methylphenyl)methyl]-5-(4-methylphenyl)sulfonyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one.
Chemical Property Profile of 2-imino-10-methyl-1-(4-methylbenzyl)-3-tosyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one
Property Insights of 2-imino-10-methyl-1-(4-methylbenzyl)-3-tosyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one
The XLogP value of 3.93503 indicates that 2-imino-10-methyl-1-(4-methylbenzyl)-3-tosyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-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 2-imino-10-methyl-1-(4-methylbenzyl)-3-tosyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one. Following Lipinski's Rule of Five, 2-imino-10-methyl-1-(4-methylbenzyl)-3-tosyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-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 2-imino-10-methyl-1-(4-methylbenzyl)-3-tosyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one?
The CAS number of 2-imino-10-methyl-1-(4-methylbenzyl)-3-tosyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one is 608104-31-0.
What is the molecular formula of 2-imino-10-methyl-1-(4-methylbenzyl)-3-tosyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one?
The molecular formula of 2-imino-10-methyl-1-(4-methylbenzyl)-3-tosyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one is C27H24N4O3S.
What is the molecular weight of 2-imino-10-methyl-1-(4-methylbenzyl)-3-tosyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one?
The molecular weight of 2-imino-10-methyl-1-(4-methylbenzyl)-3-tosyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one is 484.16 g/mol.
Where can I buy 2-imino-10-methyl-1-(4-methylbenzyl)-3-tosyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one?
You can request a quote for 2-imino-10-methyl-1-(4-methylbenzyl)-3-tosyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-imino-10-methyl-1-(4-methylbenzyl)-3-tosyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-imino-10-methyl-1-(4-methylbenzyl)-3-tosyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.