![{4-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-methoxy-6-(prop-2-en-1-yl)phenoxy}acetic acid structure](/static/products/347/347385-84-6.png)
{4-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-methoxy-6-(prop-2-en-1-yl)phenoxy}acetic acid
TL;DR: {4-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-methoxy-6-(prop-2-en-1-yl)phenoxy}acetic acid (CAS 347385-84-6) is a chemical compound with molecular formula C17H16N2O6S and molecular weight 376.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxy-6-prop-2-enylphenoxy]acetic acid
Also Known As: {4-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-methoxy-6-(prop-2-en-1-yl)phenoxy}acetic acid, {4-[(Z)-(6-hydroxy-4-oxo-2-sulfanylpyrimidin-5(4H)-ylidene)methyl]-2-methoxy-6-(prop-2-en-1-yl)phenoxy}acetic acid, 2-(2-allyl-4-((4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-6-methoxyphenoxy)acetic acid, 2-[4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxy-6-prop-2-enylphenoxy]acetic acid, 2-{4-[(4,6-DIOXO-2-SULFANYLIDENE-1,3-DIAZINAN-5-YLIDENE)METHYL]-2-METHOXY-6-(PROP-2-EN-1-YL)PHENOXY}ACETIC ACID
| Molecular Formula | C17H16N2O6S |
|---|---|
| Molecular Weight | 376.07 g/mol |
| LogP | 0.8014 |
| Topological Polar Surface Area | 113.96 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 376.0729 |
| Heavy Atoms | 26 |
| Complexity | 808.7872 |
Chemical Identifiers
| CAS Number | 347385-84-6 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OCC(=O)O)CC=C)C=C2C(=O)NC(=S)NC2=O |
Product Overview
{4-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-methoxy-6-(prop-2-en-1-yl)phenoxy}acetic acid (CAS 347385-84-6), with molecular formula C17H16N2O6S and molecular weight 376.07 g/mol. IUPAC: 2-[4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxy-6-prop-2-enylphenoxy]acetic acid.
Chemical Property Profile of {4-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-methoxy-6-(prop-2-en-1-yl)phenoxy}acetic acid
Property Insights of {4-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-methoxy-6-(prop-2-en-1-yl)phenoxy}acetic acid
The XLogP value of 0.8014 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {4-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-methoxy-6-(prop-2-en-1-yl)phenoxy}acetic acid. The TPSA of 113.96 Ų falls within the moderate polarity range, balancing permeability and solubility for {4-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-methoxy-6-(prop-2-en-1-yl)phenoxy}acetic acid. Following Lipinski's Rule of Five, {4-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-methoxy-6-(prop-2-en-1-yl)phenoxy}acetic acid has 3 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-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-methoxy-6-(prop-2-en-1-yl)phenoxy}acetic acid?
The CAS number of {4-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-methoxy-6-(prop-2-en-1-yl)phenoxy}acetic acid is 347385-84-6.
What is the molecular formula of {4-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-methoxy-6-(prop-2-en-1-yl)phenoxy}acetic acid?
The molecular formula of {4-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-methoxy-6-(prop-2-en-1-yl)phenoxy}acetic acid is C17H16N2O6S.
What is the molecular weight of {4-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-methoxy-6-(prop-2-en-1-yl)phenoxy}acetic acid?
The molecular weight of {4-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-methoxy-6-(prop-2-en-1-yl)phenoxy}acetic acid is 376.07 g/mol.
Where can I buy {4-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-methoxy-6-(prop-2-en-1-yl)phenoxy}acetic acid?
You can request a quote for {4-[(4,6-dioxo-2-thioxotetrahydropyrimidin-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-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-methoxy-6-(prop-2-en-1-yl)phenoxy}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for {4-[(4,6-dioxo-2-thioxotetrahydropyrimidin-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.