![[4-{(E)-[1-(1,3-benzodioxol-5-yl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid structure](/static/products/3485/348577-89-9.webp)
[4-{(E)-[1-(1,3-benzodioxol-5-yl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid
TL;DR: [4-{(E)-[1-(1,3-benzodioxol-5-yl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid (CAS 348577-89-9) is a chemical compound with molecular formula C24H20N2O9 and molecular weight 480.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(E)-[1-(1,3-benzodioxol-5-yl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-methoxy-6-prop-2-enylphenoxy]acetic acid
Also Known As: [4-{(E)-[1-(1,3-benzodioxol-5-yl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid, (E)-2-(2-allyl-4-((1-(benzo[d][1,3]dioxol-5-yl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-6-methoxyphenoxy)acetic acid, 2-[4-[(E)-[1-(1,3-benzodioxol-5-yl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-methoxy-6-prop-2-enylphenoxy]acetic acid
| Molecular Formula | C24H20N2O9 |
|---|---|
| Molecular Weight | 480.12 g/mol |
| LogP | 2.2822 |
| Topological Polar Surface Area | 140.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 480.11688 |
| Heavy Atoms | 35 |
| Complexity | 1281.9962 |
Chemical Identifiers
| CAS Number | 348577-89-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OCC(=O)O)CC=C)/C=C/2\C(=O)NC(=O)N(C2=O)C3=CC4=C(C=C3)OCO4 |
Product Overview
[4-{(E)-[1-(1,3-benzodioxol-5-yl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid (CAS 348577-89-9), with molecular formula C24H20N2O9 and molecular weight 480.12 g/mol. IUPAC: 2-[4-[(E)-[1-(1,3-benzodioxol-5-yl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-methoxy-6-prop-2-enylphenoxy]acetic acid.
Chemical Property Profile of [4-{(E)-[1-(1,3-benzodioxol-5-yl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid
Property Insights of [4-{(E)-[1-(1,3-benzodioxol-5-yl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid
The XLogP value of 2.2822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-{(E)-[1-(1,3-benzodioxol-5-yl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid. The TPSA of 140.7 Ų indicates high polarity, suggesting [4-{(E)-[1-(1,3-benzodioxol-5-yl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [4-{(E)-[1-(1,3-benzodioxol-5-yl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid has 2 hydrogen bond donor(s) and 8 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 [4-{(E)-[1-(1,3-benzodioxol-5-yl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid?
The CAS number of [4-{(E)-[1-(1,3-benzodioxol-5-yl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid is 348577-89-9.
What is the molecular formula of [4-{(E)-[1-(1,3-benzodioxol-5-yl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid?
The molecular formula of [4-{(E)-[1-(1,3-benzodioxol-5-yl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid is C24H20N2O9.
What is the molecular weight of [4-{(E)-[1-(1,3-benzodioxol-5-yl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid?
The molecular weight of [4-{(E)-[1-(1,3-benzodioxol-5-yl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid is 480.12 g/mol.
Where can I buy [4-{(E)-[1-(1,3-benzodioxol-5-yl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid?
You can request a quote for [4-{(E)-[1-(1,3-benzodioxol-5-yl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxy-6-(prop-2-en-1-yl)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 [4-{(E)-[1-(1,3-benzodioxol-5-yl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [4-{(E)-[1-(1,3-benzodioxol-5-yl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.