![5-(4-fluorobenzenesulfonyl)-6-imino-11-methyl-7-(2-phenylethyl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one structure](/static/products/853/853753-30-7.png)
5-(4-fluorobenzenesulfonyl)-6-imino-11-methyl-7-(2-phenylethyl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one
TL;DR: 5-(4-fluorobenzenesulfonyl)-6-imino-11-methyl-7-(2-phenylethyl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one (CAS 853753-30-7) 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.
5-(4-fluorophenyl)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: 5-(4-fluorobenzenesulfonyl)-6-imino-11-methyl-7-(2-phenylethyl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one, 3-((4-fluorophenyl)sulfonyl)-2-imino-10-methyl-1-phenethyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one, 3-[(4-fluorophenyl)sulfonyl]-2-imino-10-methyl-1-(2-phenylethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one, 3-[(4-fluorophenyl)sulfonyl]-2-imino-10-methyl-1-(2-phenylethyl)-1,6-dihydropy ridino[2,3-d]pyridino[1,2-a]pyrimidin-5-one
| Molecular Formula | C26H21FN4O3S |
|---|---|
| Molecular Weight | 488.13 g/mol |
| LogP | 3.65169 |
| Topological Polar Surface Area | 97.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 488.13184 |
| Heavy Atoms | 35 |
| Complexity | 1810.6582 |
Chemical Identifiers
| CAS Number | 853753-30-7 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCC4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)F |
Product Overview
5-(4-fluorobenzenesulfonyl)-6-imino-11-methyl-7-(2-phenylethyl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one (CAS 853753-30-7), with molecular formula C26H21FN4O3S and molecular weight 488.13 g/mol. IUPAC: 5-(4-fluorophenyl)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 5-(4-fluorobenzenesulfonyl)-6-imino-11-methyl-7-(2-phenylethyl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one
Property Insights of 5-(4-fluorobenzenesulfonyl)-6-imino-11-methyl-7-(2-phenylethyl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one
The XLogP value of 3.65169 indicates that 5-(4-fluorobenzenesulfonyl)-6-imino-11-methyl-7-(2-phenylethyl)-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 5-(4-fluorobenzenesulfonyl)-6-imino-11-methyl-7-(2-phenylethyl)-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, 5-(4-fluorobenzenesulfonyl)-6-imino-11-methyl-7-(2-phenylethyl)-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 5-(4-fluorobenzenesulfonyl)-6-imino-11-methyl-7-(2-phenylethyl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one?
The CAS number of 5-(4-fluorobenzenesulfonyl)-6-imino-11-methyl-7-(2-phenylethyl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one is 853753-30-7.
What is the molecular formula of 5-(4-fluorobenzenesulfonyl)-6-imino-11-methyl-7-(2-phenylethyl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one?
The molecular formula of 5-(4-fluorobenzenesulfonyl)-6-imino-11-methyl-7-(2-phenylethyl)-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 5-(4-fluorobenzenesulfonyl)-6-imino-11-methyl-7-(2-phenylethyl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one?
The molecular weight of 5-(4-fluorobenzenesulfonyl)-6-imino-11-methyl-7-(2-phenylethyl)-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 5-(4-fluorobenzenesulfonyl)-6-imino-11-methyl-7-(2-phenylethyl)-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 5-(4-fluorobenzenesulfonyl)-6-imino-11-methyl-7-(2-phenylethyl)-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 5-(4-fluorobenzenesulfonyl)-6-imino-11-methyl-7-(2-phenylethyl)-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 5-(4-fluorobenzenesulfonyl)-6-imino-11-methyl-7-(2-phenylethyl)-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.