![1-allyl-3-((4-fluorophenyl)sulfonyl)-2-imino-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one structure](/static/products/847/847246-13-3.png)
1-allyl-3-((4-fluorophenyl)sulfonyl)-2-imino-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one
TL;DR: 1-allyl-3-((4-fluorophenyl)sulfonyl)-2-imino-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one (CAS 847246-13-3) is a chemical compound with molecular formula C20H15FN4O3S and molecular weight 410.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-fluorophenyl)sulfonyl-6-imino-7-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
Also Known As: 1-allyl-3-((4-fluorophenyl)sulfonyl)-2-imino-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one, F3226-2148, 5-(4-fluorobenzenesulfonyl)-6-imino-7-(prop-2-en-1-yl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one, 5-(4-fluorophenyl)sulfonyl-6-imino-7-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one, 3-[(4-fluorophenyl)sulfonyl]-2-imino-1-(prop-2-en-1-yl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
| Molecular Formula | C20H15FN4O3S |
|---|---|
| Molecular Weight | 410.08 g/mol |
| LogP | 2.28657 |
| Topological Polar Surface Area | 97.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 410.0849 |
| Heavy Atoms | 29 |
| Complexity | 1503.5704 |
Chemical Identifiers
| CAS Number | 847246-13-3 |
|---|---|
| SMILES | C=CCN1C2=C(C=C(C1=N)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)N4C=CC=CC4=N2 |
Product Overview
1-allyl-3-((4-fluorophenyl)sulfonyl)-2-imino-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one (CAS 847246-13-3), with molecular formula C20H15FN4O3S and molecular weight 410.08 g/mol. IUPAC: 5-(4-fluorophenyl)sulfonyl-6-imino-7-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one.
Chemical Property Profile of 1-allyl-3-((4-fluorophenyl)sulfonyl)-2-imino-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one
Property Insights of 1-allyl-3-((4-fluorophenyl)sulfonyl)-2-imino-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one
The XLogP value of 2.28657 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-allyl-3-((4-fluorophenyl)sulfonyl)-2-imino-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one. The TPSA of 97.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-allyl-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-allyl-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 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 1-allyl-3-((4-fluorophenyl)sulfonyl)-2-imino-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one?
The CAS number of 1-allyl-3-((4-fluorophenyl)sulfonyl)-2-imino-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one is 847246-13-3.
What is the molecular formula of 1-allyl-3-((4-fluorophenyl)sulfonyl)-2-imino-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one?
The molecular formula of 1-allyl-3-((4-fluorophenyl)sulfonyl)-2-imino-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one is C20H15FN4O3S.
What is the molecular weight of 1-allyl-3-((4-fluorophenyl)sulfonyl)-2-imino-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one?
The molecular weight of 1-allyl-3-((4-fluorophenyl)sulfonyl)-2-imino-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one is 410.08 g/mol.
Where can I buy 1-allyl-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-allyl-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-allyl-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-allyl-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.