![[4-{(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid structure](/static/products/690/690968-77-5.png)
[4-{(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid
TL;DR: [4-{(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid (CAS 690968-77-5) is a chemical compound with molecular formula C25H23ClN2O7 and molecular weight 498.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-ethoxy-6-prop-2-enylphenoxy]acetic acid
Also Known As: [4-{(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid|(Z)-2-(2-allyl-4-((1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-6-ethoxyphenoxy)acetic acid|2-[4-[(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-ethoxy-6-prop-2-enylphenoxy]acetic acid
| Molecular Formula | C25H23ClN2O7 |
|---|---|
| Molecular Weight | 498.12 g/mol |
| LogP | 3.90542 |
| Topological Polar Surface Area | 122.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 498.1194 |
| Heavy Atoms | 35 |
| Complexity | 1252.6167 |
Chemical Identifiers
| CAS Number | 690968-77-5 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1OCC(=O)O)CC=C)/C=C\2/C(=O)NC(=O)N(C2=O)C3=CC(=C(C=C3)C)Cl |
Product Overview
[4-{(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid (CAS 690968-77-5), with molecular formula C25H23ClN2O7 and molecular weight 498.12 g/mol. IUPAC: 2-[4-[(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-ethoxy-6-prop-2-enylphenoxy]acetic acid.
Chemical Property Profile of [4-{(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid
Property Insights of [4-{(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid
The XLogP value of 3.90542 indicates that [4-{(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.24 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-{(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid. Following Lipinski's Rule of Five, [4-{(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid 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 [4-{(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid?
The CAS number of [4-{(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid is 690968-77-5.
What is the molecular formula of [4-{(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid?
The molecular formula of [4-{(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid is C25H23ClN2O7.
What is the molecular weight of [4-{(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid?
The molecular weight of [4-{(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid is 498.12 g/mol.
Where can I buy [4-{(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid?
You can request a quote for [4-{(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxy-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-{(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [4-{(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.