(E)-methyl 3-(((1-(4-fluorobenzyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate
TL;DR: (E)-methyl 3-(((1-(4-fluorobenzyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate (CAS 714246-85-2) is a chemical compound with molecular formula C20H16FN3O5 and molecular weight 397.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[1-[(4-fluorophenyl)methyl]-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzoate
Also Known As: (E)-methyl 3-(((1-(4-fluorobenzyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate, 3-{[1-(4-Fluoro-benzyl)-2,4,6-trioxo-tetrahydro-pyrimidin-(5E)-ylidenemethyl]-amino}-benzoic acid methyl ester, methyl 3-({(E)-[1-(4-fluorobenzyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}amino)benzoate, methyl 3-[[(E)-[1-[(4-fluorophenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]amino]benzoate, methyl 3-[[1-[(4-fluorophenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoate
| Molecular Formula | C20H16FN3O5 |
|---|---|
| Molecular Weight | 397.11 g/mol |
| LogP | 1.9668 |
| Topological Polar Surface Area | 113.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.1074 |
| Heavy Atoms | 29 |
| Complexity | 1195.9739 |
Chemical Identifiers
| CAS Number | 714246-85-2 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC=C1)N=CC2=C(N(C(=O)NC2=O)CC3=CC=C(C=C3)F)O |
Product Overview
(E)-methyl 3-(((1-(4-fluorobenzyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate (CAS 714246-85-2), with molecular formula C20H16FN3O5 and molecular weight 397.11 g/mol. IUPAC: methyl 3-[[1-[(4-fluorophenyl)methyl]-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzoate.
Chemical Property Profile of (E)-methyl 3-(((1-(4-fluorobenzyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate
Property Insights of (E)-methyl 3-(((1-(4-fluorobenzyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate
The XLogP value of 1.9668 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-methyl 3-(((1-(4-fluorobenzyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate. The TPSA of 113.75 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 3-(((1-(4-fluorobenzyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate. Following Lipinski's Rule of Five, (E)-methyl 3-(((1-(4-fluorobenzyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate 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 (E)-methyl 3-(((1-(4-fluorobenzyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate?
The CAS number of (E)-methyl 3-(((1-(4-fluorobenzyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate is 714246-85-2.
What is the molecular formula of (E)-methyl 3-(((1-(4-fluorobenzyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate?
The molecular formula of (E)-methyl 3-(((1-(4-fluorobenzyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate is C20H16FN3O5.
What is the molecular weight of (E)-methyl 3-(((1-(4-fluorobenzyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate?
The molecular weight of (E)-methyl 3-(((1-(4-fluorobenzyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate is 397.11 g/mol.
Where can I buy (E)-methyl 3-(((1-(4-fluorobenzyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate?
You can request a quote for (E)-methyl 3-(((1-(4-fluorobenzyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-methyl 3-(((1-(4-fluorobenzyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 3-(((1-(4-fluorobenzyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.