![1-ethyl-3-((4-fluorophenyl)sulfonyl)-2-imino-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one structure](/static/products/848/848727-50-4.png)
1-ethyl-3-((4-fluorophenyl)sulfonyl)-2-imino-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one
TL;DR: 1-ethyl-3-((4-fluorophenyl)sulfonyl)-2-imino-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one (CAS 848727-50-4) is a chemical compound with molecular formula C19H15FN4O3S and molecular weight 398.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-ethyl-5-(4-fluorophenyl)sulfonyl-6-imino-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
Also Known As: 1-ethyl-3-((4-fluorophenyl)sulfonyl)-2-imino-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one, 7-ethyl-5-(4-fluorobenzenesulfonyl)-6-imino-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one, 1-ethyl-3-(4-fluorophenyl)sulfonyl-2-imino-5-dipyrido[1,2-d:3'',4''-f]pyrimidinone, 1-ethyl-3-(4-fluorophenyl)sulfonyl-2-imino-dipyrido[1,2-d:3'',4''-f]pyrimidin-5-one, 1-ethyl-3-(4-fluorophenyl)sulfonyl-2-iminodipyrido[1,2-d:3'',4''-f]pyrimidin-5-one
| Molecular Formula | C19H15FN4O3S |
|---|---|
| Molecular Weight | 398.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 398.0849 |
| Heavy Atoms | 28 |
| Complexity | 993.0 |
Chemical Identifiers
| CAS Number | 848727-50-4 |
|---|---|
| SMILES | CCN1C2=C(C=C(C1=N)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)N4C=CC=CC4=N2 |
| InChIKey | UCPNGYVYKDMCAU-UHFFFAOYSA-N |
Product Overview
1-ethyl-3-((4-fluorophenyl)sulfonyl)-2-imino-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one (CAS 848727-50-4), with molecular formula C19H15FN4O3S and molecular weight 398.08 g/mol. IUPAC: 7-ethyl-5-(4-fluorophenyl)sulfonyl-6-imino-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one.
Chemical Property Profile of 1-ethyl-3-((4-fluorophenyl)sulfonyl)-2-imino-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one
Property Insights of 1-ethyl-3-((4-fluorophenyl)sulfonyl)-2-imino-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-ethyl-3-((4-fluorophenyl)sulfonyl)-2-imino-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-ethyl-3-((4-fluorophenyl)sulfonyl)-2-imino-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one. Following Lipinski's Rule of Five, 1-ethyl-3-((4-fluorophenyl)sulfonyl)-2-imino-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one has 1 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 1-ethyl-3-((4-fluorophenyl)sulfonyl)-2-imino-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one?
The CAS number of 1-ethyl-3-((4-fluorophenyl)sulfonyl)-2-imino-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one is 848727-50-4.
What is the molecular formula of 1-ethyl-3-((4-fluorophenyl)sulfonyl)-2-imino-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one?
The molecular formula of 1-ethyl-3-((4-fluorophenyl)sulfonyl)-2-imino-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one is C19H15FN4O3S.
What is the molecular weight of 1-ethyl-3-((4-fluorophenyl)sulfonyl)-2-imino-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one?
The molecular weight of 1-ethyl-3-((4-fluorophenyl)sulfonyl)-2-imino-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one is 398.08 g/mol.
Where can I buy 1-ethyl-3-((4-fluorophenyl)sulfonyl)-2-imino-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one?
You can request a quote for 1-ethyl-3-((4-fluorophenyl)sulfonyl)-2-imino-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 1-ethyl-3-((4-fluorophenyl)sulfonyl)-2-imino-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-ethyl-3-((4-fluorophenyl)sulfonyl)-2-imino-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.