![(2-bromo-6-methoxy-4-{(Z)-[1-(3-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid structure](/static/products/3473/347394-39-2.webp)
(2-bromo-6-methoxy-4-{(Z)-[1-(3-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid
TL;DR: (2-bromo-6-methoxy-4-{(Z)-[1-(3-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid (CAS 347394-39-2) is a chemical compound with molecular formula C21H17BrN2O7 and molecular weight 488.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-bromo-6-methoxy-4-[(Z)-[1-(3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid
Also Known As: (2-bromo-6-methoxy-4-{(Z)-[1-(3-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid, (Z)-2-(2-bromo-6-methoxy-4-((2,4,6-trioxo-1-(m-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetic acid, 2-[2-bromo-6-methoxy-4-[(Z)-[1-(3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid
| Molecular Formula | C21H17BrN2O7 |
|---|---|
| Molecular Weight | 488.02 g/mol |
| LogP | 2.89592 |
| Topological Polar Surface Area | 122.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.0219 |
| Heavy Atoms | 31 |
| Complexity | 1126.7065 |
Chemical Identifiers
| CAS Number | 347394-39-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)/C(=C\C3=CC(=C(C(=C3)Br)OCC(=O)O)OC)/C(=O)NC2=O |
Product Overview
(2-bromo-6-methoxy-4-{(Z)-[1-(3-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid (CAS 347394-39-2), with molecular formula C21H17BrN2O7 and molecular weight 488.02 g/mol. IUPAC: 2-[2-bromo-6-methoxy-4-[(Z)-[1-(3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid.
Chemical Property Profile of (2-bromo-6-methoxy-4-{(Z)-[1-(3-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid
Property Insights of (2-bromo-6-methoxy-4-{(Z)-[1-(3-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid
The XLogP value of 2.89592 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-bromo-6-methoxy-4-{(Z)-[1-(3-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid. The TPSA of 122.24 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-bromo-6-methoxy-4-{(Z)-[1-(3-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid. Following Lipinski's Rule of Five, (2-bromo-6-methoxy-4-{(Z)-[1-(3-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}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 (2-bromo-6-methoxy-4-{(Z)-[1-(3-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid?
The CAS number of (2-bromo-6-methoxy-4-{(Z)-[1-(3-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid is 347394-39-2.
What is the molecular formula of (2-bromo-6-methoxy-4-{(Z)-[1-(3-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid?
The molecular formula of (2-bromo-6-methoxy-4-{(Z)-[1-(3-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid is C21H17BrN2O7.
What is the molecular weight of (2-bromo-6-methoxy-4-{(Z)-[1-(3-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid?
The molecular weight of (2-bromo-6-methoxy-4-{(Z)-[1-(3-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid is 488.02 g/mol.
Where can I buy (2-bromo-6-methoxy-4-{(Z)-[1-(3-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid?
You can request a quote for (2-bromo-6-methoxy-4-{(Z)-[1-(3-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}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 (2-bromo-6-methoxy-4-{(Z)-[1-(3-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2-bromo-6-methoxy-4-{(Z)-[1-(3-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.