![3-((4-fluorophenyl)sulfonyl)-1-(2-hydroxyethyl)-2-imino-10-methyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one structure](/static/products/844/844826-64-8.png)
3-((4-fluorophenyl)sulfonyl)-1-(2-hydroxyethyl)-2-imino-10-methyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one
TL;DR: 3-((4-fluorophenyl)sulfonyl)-1-(2-hydroxyethyl)-2-imino-10-methyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one (CAS 844826-64-8) is a chemical compound with molecular formula C20H17FN4O4S and molecular weight 428.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-fluorophenyl)sulfonyl-7-(2-hydroxyethyl)-6-imino-11-methyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
Also Known As: 3-((4-fluorophenyl)sulfonyl)-1-(2-hydroxyethyl)-2-imino-10-methyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one, F3226-2157, 5-(4-fluorobenzenesulfonyl)-7-(2-hydroxyethyl)-6-imino-11-methyl-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one, 5-(4-fluorophenyl)sulfonyl-7-(2-hydroxyethyl)-6-imino-11-methyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one, 3-[(4-fluorophenyl)sulfonyl]-1-(2-hydroxyethyl)-2-imino-10-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
| Molecular Formula | C20H17FN4O4S |
|---|---|
| Molecular Weight | 428.10 g/mol |
| LogP | 1.40129 |
| Topological Polar Surface Area | 117.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 428.09546 |
| Heavy Atoms | 30 |
| Complexity | 1523.5156 |
Chemical Identifiers
| CAS Number | 844826-64-8 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCO)S(=O)(=O)C4=CC=C(C=C4)F |
Product Overview
3-((4-fluorophenyl)sulfonyl)-1-(2-hydroxyethyl)-2-imino-10-methyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one (CAS 844826-64-8), with molecular formula C20H17FN4O4S and molecular weight 428.10 g/mol. IUPAC: 5-(4-fluorophenyl)sulfonyl-7-(2-hydroxyethyl)-6-imino-11-methyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one.
Chemical Property Profile of 3-((4-fluorophenyl)sulfonyl)-1-(2-hydroxyethyl)-2-imino-10-methyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one
Property Insights of 3-((4-fluorophenyl)sulfonyl)-1-(2-hydroxyethyl)-2-imino-10-methyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one
The XLogP value of 1.40129 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((4-fluorophenyl)sulfonyl)-1-(2-hydroxyethyl)-2-imino-10-methyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one. The TPSA of 117.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((4-fluorophenyl)sulfonyl)-1-(2-hydroxyethyl)-2-imino-10-methyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one. Following Lipinski's Rule of Five, 3-((4-fluorophenyl)sulfonyl)-1-(2-hydroxyethyl)-2-imino-10-methyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one has 2 hydrogen bond donor(s) and 6 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-((4-fluorophenyl)sulfonyl)-1-(2-hydroxyethyl)-2-imino-10-methyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one?
The CAS number of 3-((4-fluorophenyl)sulfonyl)-1-(2-hydroxyethyl)-2-imino-10-methyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one is 844826-64-8.
What is the molecular formula of 3-((4-fluorophenyl)sulfonyl)-1-(2-hydroxyethyl)-2-imino-10-methyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one?
The molecular formula of 3-((4-fluorophenyl)sulfonyl)-1-(2-hydroxyethyl)-2-imino-10-methyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one is C20H17FN4O4S.
What is the molecular weight of 3-((4-fluorophenyl)sulfonyl)-1-(2-hydroxyethyl)-2-imino-10-methyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one?
The molecular weight of 3-((4-fluorophenyl)sulfonyl)-1-(2-hydroxyethyl)-2-imino-10-methyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one is 428.10 g/mol.
Where can I buy 3-((4-fluorophenyl)sulfonyl)-1-(2-hydroxyethyl)-2-imino-10-methyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one?
You can request a quote for 3-((4-fluorophenyl)sulfonyl)-1-(2-hydroxyethyl)-2-imino-10-methyl-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 3-((4-fluorophenyl)sulfonyl)-1-(2-hydroxyethyl)-2-imino-10-methyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-fluorophenyl)sulfonyl)-1-(2-hydroxyethyl)-2-imino-10-methyl-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.