![(4-{(Z)-[4,6-dioxo-1-(prop-2-en-1-yl)-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxyphenoxy)acetic acid structure](/static/products/3473/347394-79-0.webp)
(4-{(Z)-[4,6-dioxo-1-(prop-2-en-1-yl)-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxyphenoxy)acetic acid
TL;DR: (4-{(Z)-[4,6-dioxo-1-(prop-2-en-1-yl)-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxyphenoxy)acetic acid (CAS 347394-79-0) is a chemical compound with molecular formula C18H18N2O6S and molecular weight 390.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(Z)-(4,6-dioxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-ethoxyphenoxy]acetic acid
Also Known As: (4-{(Z)-[4,6-dioxo-1-(prop-2-en-1-yl)-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxyphenoxy)acetic acid, (Z)-2-(4-((1-allyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-ethoxyphenoxy)acetic acid, 2-[4-[(Z)-(4,6-dioxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-ethoxyphenoxy]acetic acid
| Molecular Formula | C18H18N2O6S |
|---|---|
| Molecular Weight | 390.09 g/mol |
| LogP | 1.3614 |
| Topological Polar Surface Area | 105.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 390.08856 |
| Heavy Atoms | 27 |
| Complexity | 833.1408 |
Chemical Identifiers
| CAS Number | 347394-79-0 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C\2/C(=O)NC(=S)N(C2=O)CC=C)OCC(=O)O |
Product Overview
(4-{(Z)-[4,6-dioxo-1-(prop-2-en-1-yl)-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxyphenoxy)acetic acid (CAS 347394-79-0), with molecular formula C18H18N2O6S and molecular weight 390.09 g/mol. IUPAC: 2-[4-[(Z)-(4,6-dioxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-ethoxyphenoxy]acetic acid.
Chemical Property Profile of (4-{(Z)-[4,6-dioxo-1-(prop-2-en-1-yl)-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxyphenoxy)acetic acid
Property Insights of (4-{(Z)-[4,6-dioxo-1-(prop-2-en-1-yl)-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxyphenoxy)acetic acid
The XLogP value of 1.3614 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-{(Z)-[4,6-dioxo-1-(prop-2-en-1-yl)-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxyphenoxy)acetic acid. The TPSA of 105.17 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-{(Z)-[4,6-dioxo-1-(prop-2-en-1-yl)-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxyphenoxy)acetic acid. Following Lipinski's Rule of Five, (4-{(Z)-[4,6-dioxo-1-(prop-2-en-1-yl)-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxyphenoxy)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)-[4,6-dioxo-1-(prop-2-en-1-yl)-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxyphenoxy)acetic acid?
The CAS number of (4-{(Z)-[4,6-dioxo-1-(prop-2-en-1-yl)-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxyphenoxy)acetic acid is 347394-79-0.
What is the molecular formula of (4-{(Z)-[4,6-dioxo-1-(prop-2-en-1-yl)-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxyphenoxy)acetic acid?
The molecular formula of (4-{(Z)-[4,6-dioxo-1-(prop-2-en-1-yl)-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxyphenoxy)acetic acid is C18H18N2O6S.
What is the molecular weight of (4-{(Z)-[4,6-dioxo-1-(prop-2-en-1-yl)-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxyphenoxy)acetic acid?
The molecular weight of (4-{(Z)-[4,6-dioxo-1-(prop-2-en-1-yl)-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxyphenoxy)acetic acid is 390.09 g/mol.
Where can I buy (4-{(Z)-[4,6-dioxo-1-(prop-2-en-1-yl)-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxyphenoxy)acetic acid?
You can request a quote for (4-{(Z)-[4,6-dioxo-1-(prop-2-en-1-yl)-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxyphenoxy)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)-[4,6-dioxo-1-(prop-2-en-1-yl)-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxyphenoxy)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (4-{(Z)-[4,6-dioxo-1-(prop-2-en-1-yl)-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxyphenoxy)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.