![(4-{(Z)-[1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetic acid structure](/static/products/799/799824-22-9.png)
(4-{(Z)-[1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetic acid
TL;DR: (4-{(Z)-[1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetic acid (CAS 799824-22-9) is a chemical compound with molecular formula C21H17ClN2O8 and molecular weight 460.07 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-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenoxy]acetic acid
Also Known As: (4-{(Z)-[1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetic acid, (Z)-2-(4-((1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxyphenoxy)acetic acid, 2-[4-[(Z)-[1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenoxy]acetic acid
| Molecular Formula | C21H17ClN2O8 |
|---|---|
| Molecular Weight | 460.07 g/mol |
| LogP | 2.487 |
| Topological Polar Surface Area | 131.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 460.06735 |
| Heavy Atoms | 32 |
| Complexity | 1144.6147 |
Chemical Identifiers
| CAS Number | 799824-22-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)N2C(=O)/C(=C\C3=CC(=C(C=C3)OCC(=O)O)OC)/C(=O)NC2=O)Cl |
Product Overview
(4-{(Z)-[1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetic acid (CAS 799824-22-9), with molecular formula C21H17ClN2O8 and molecular weight 460.07 g/mol. IUPAC: 2-[4-[(Z)-[1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenoxy]acetic acid.
Chemical Property Profile of (4-{(Z)-[1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetic acid
Property Insights of (4-{(Z)-[1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetic acid
The XLogP value of 2.487 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-{(Z)-[1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetic acid. The TPSA of 131.47 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-{(Z)-[1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetic acid. Following Lipinski's Rule of Five, (4-{(Z)-[1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetic acid has 2 hydrogen bond donor(s) and 7 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-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetic acid?
The CAS number of (4-{(Z)-[1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetic acid is 799824-22-9.
What is the molecular formula of (4-{(Z)-[1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetic acid?
The molecular formula of (4-{(Z)-[1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetic acid is C21H17ClN2O8.
What is the molecular weight of (4-{(Z)-[1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetic acid?
The molecular weight of (4-{(Z)-[1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetic acid is 460.07 g/mol.
Where can I buy (4-{(Z)-[1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetic acid?
You can request a quote for (4-{(Z)-[1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)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-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (4-{(Z)-[1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.