(E)-2-(4-((1-(4-fluorophenethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetic acid
TL;DR: (E)-2-(4-((1-(4-fluorophenethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetic acid (CAS 372970-22-4) is a chemical compound with molecular formula C21H17FN2O6 and molecular weight 412.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(E)-[1-[2-(4-fluorophenyl)ethyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid
Also Known As: (E)-2-(4-((1-(4-fluorophenethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetic acid, 2-[4-[(E)-[1-[2-(4-fluorophenyl)ethyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid, 2-[4-[[1-[2-(4-fluorophenyl)ethyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic Acid
| Molecular Formula | C21H17FN2O6 |
|---|---|
| Molecular Weight | 412.11 g/mol |
| LogP | 1.9936 |
| Topological Polar Surface Area | 113.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 412.10706 |
| Heavy Atoms | 30 |
| Complexity | 1014.79706 |
Chemical Identifiers
| CAS Number | 372970-22-4 |
|---|---|
| SMILES | C1=CC(=CC=C1CCN2C(=O)/C(=C/C3=CC=C(C=C3)OCC(=O)O)/C(=O)NC2=O)F |
Product Overview
(E)-2-(4-((1-(4-fluorophenethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetic acid (CAS 372970-22-4), with molecular formula C21H17FN2O6 and molecular weight 412.11 g/mol. IUPAC: 2-[4-[(E)-[1-[2-(4-fluorophenyl)ethyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid.
Chemical Property Profile of (E)-2-(4-((1-(4-fluorophenethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetic acid
Property Insights of (E)-2-(4-((1-(4-fluorophenethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetic acid
The XLogP value of 1.9936 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-(4-((1-(4-fluorophenethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetic acid. The TPSA of 113.01 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(4-((1-(4-fluorophenethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetic acid. Following Lipinski's Rule of Five, (E)-2-(4-((1-(4-fluorophenethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetic acid has 2 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 (E)-2-(4-((1-(4-fluorophenethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetic acid?
The CAS number of (E)-2-(4-((1-(4-fluorophenethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetic acid is 372970-22-4.
What is the molecular formula of (E)-2-(4-((1-(4-fluorophenethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetic acid?
The molecular formula of (E)-2-(4-((1-(4-fluorophenethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetic acid is C21H17FN2O6.
What is the molecular weight of (E)-2-(4-((1-(4-fluorophenethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetic acid?
The molecular weight of (E)-2-(4-((1-(4-fluorophenethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetic acid is 412.11 g/mol.
Where can I buy (E)-2-(4-((1-(4-fluorophenethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetic acid?
You can request a quote for (E)-2-(4-((1-(4-fluorophenethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(4-((1-(4-fluorophenethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(4-((1-(4-fluorophenethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.