![7-[(4-fluorophenyl)methyl]-6-imino-11-methyl-5-(4-methylbenzenesulfonyl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one structure](/static/products/848/848058-47-9.png)
7-[(4-fluorophenyl)methyl]-6-imino-11-methyl-5-(4-methylbenzenesulfonyl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one
TL;DR: 7-[(4-fluorophenyl)methyl]-6-imino-11-methyl-5-(4-methylbenzenesulfonyl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one (CAS 848058-47-9) is a chemical compound with molecular formula C26H21FN4O3S and molecular weight 488.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(4-fluorophenyl)methyl]-6-imino-11-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: 7-[(4-fluorophenyl)methyl]-6-imino-11-methyl-5-(4-methylbenzenesulfonyl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one, 1-(4-fluorobenzyl)-2-imino-10-methyl-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one, 1-(4-fluorobenzyl)-2-imino-10-methyl-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one, 1-(4-fluorobenzyl)-2-imino-10-methyl-3-tosyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one
| Molecular Formula | C26H21FN4O3S |
|---|---|
| Molecular Weight | 488.13 g/mol |
| LogP | 3.76571 |
| Topological Polar Surface Area | 97.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 488.13184 |
| Heavy Atoms | 35 |
| Complexity | 1840.0662 |
Chemical Identifiers
| CAS Number | 848058-47-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(N=C4C(=CC=CN4C3=O)C)N(C2=N)CC5=CC=C(C=C5)F |
Product Overview
7-[(4-fluorophenyl)methyl]-6-imino-11-methyl-5-(4-methylbenzenesulfonyl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one (CAS 848058-47-9), with molecular formula C26H21FN4O3S and molecular weight 488.13 g/mol. IUPAC: 7-[(4-fluorophenyl)methyl]-6-imino-11-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 7-[(4-fluorophenyl)methyl]-6-imino-11-methyl-5-(4-methylbenzenesulfonyl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one
Property Insights of 7-[(4-fluorophenyl)methyl]-6-imino-11-methyl-5-(4-methylbenzenesulfonyl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one
The XLogP value of 3.76571 indicates that 7-[(4-fluorophenyl)methyl]-6-imino-11-methyl-5-(4-methylbenzenesulfonyl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-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 7-[(4-fluorophenyl)methyl]-6-imino-11-methyl-5-(4-methylbenzenesulfonyl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one. Following Lipinski's Rule of Five, 7-[(4-fluorophenyl)methyl]-6-imino-11-methyl-5-(4-methylbenzenesulfonyl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-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 7-[(4-fluorophenyl)methyl]-6-imino-11-methyl-5-(4-methylbenzenesulfonyl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one?
The CAS number of 7-[(4-fluorophenyl)methyl]-6-imino-11-methyl-5-(4-methylbenzenesulfonyl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one is 848058-47-9.
What is the molecular formula of 7-[(4-fluorophenyl)methyl]-6-imino-11-methyl-5-(4-methylbenzenesulfonyl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one?
The molecular formula of 7-[(4-fluorophenyl)methyl]-6-imino-11-methyl-5-(4-methylbenzenesulfonyl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one is C26H21FN4O3S.
What is the molecular weight of 7-[(4-fluorophenyl)methyl]-6-imino-11-methyl-5-(4-methylbenzenesulfonyl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one?
The molecular weight of 7-[(4-fluorophenyl)methyl]-6-imino-11-methyl-5-(4-methylbenzenesulfonyl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one is 488.13 g/mol.
Where can I buy 7-[(4-fluorophenyl)methyl]-6-imino-11-methyl-5-(4-methylbenzenesulfonyl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one?
You can request a quote for 7-[(4-fluorophenyl)methyl]-6-imino-11-methyl-5-(4-methylbenzenesulfonyl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-[(4-fluorophenyl)methyl]-6-imino-11-methyl-5-(4-methylbenzenesulfonyl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 7-[(4-fluorophenyl)methyl]-6-imino-11-methyl-5-(4-methylbenzenesulfonyl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.