![(2-bromo-4-{(E)-[1-(4-tert-butylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid structure](/static/products/3473/347395-88-4.webp)
(2-bromo-4-{(E)-[1-(4-tert-butylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid
TL;DR: (2-bromo-4-{(E)-[1-(4-tert-butylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid (CAS 347395-88-4) is a chemical compound with molecular formula C23H21BrN2O6 and molecular weight 500.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-bromo-4-[(E)-[1-(4-tert-butylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid
Also Known As: (2-bromo-4-{(E)-[1-(4-tert-butylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid, (E)-2-(2-bromo-4-((1-(4-(tert-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetic acid, 2-[2-bromo-4-[(E)-[1-(4-tert-butylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid
| Molecular Formula | C23H21BrN2O6 |
|---|---|
| Molecular Weight | 500.06 g/mol |
| LogP | 3.8764 |
| Topological Polar Surface Area | 113.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 500.0583 |
| Heavy Atoms | 32 |
| Complexity | 1132.1659 |
Chemical Identifiers
| CAS Number | 347395-88-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC(=C(C=C3)OCC(=O)O)Br)/C(=O)NC2=O |
Product Overview
(2-bromo-4-{(E)-[1-(4-tert-butylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid (CAS 347395-88-4), with molecular formula C23H21BrN2O6 and molecular weight 500.06 g/mol. IUPAC: 2-[2-bromo-4-[(E)-[1-(4-tert-butylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid.
Chemical Property Profile of (2-bromo-4-{(E)-[1-(4-tert-butylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid
Property Insights of (2-bromo-4-{(E)-[1-(4-tert-butylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid
The XLogP value of 3.8764 indicates that (2-bromo-4-{(E)-[1-(4-tert-butylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.01 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-bromo-4-{(E)-[1-(4-tert-butylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid. Following Lipinski's Rule of Five, (2-bromo-4-{(E)-[1-(4-tert-butylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2-bromo-4-{(E)-[1-(4-tert-butylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid?
The CAS number of (2-bromo-4-{(E)-[1-(4-tert-butylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid is 347395-88-4.
What is the molecular formula of (2-bromo-4-{(E)-[1-(4-tert-butylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid?
The molecular formula of (2-bromo-4-{(E)-[1-(4-tert-butylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid is C23H21BrN2O6.
What is the molecular weight of (2-bromo-4-{(E)-[1-(4-tert-butylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid?
The molecular weight of (2-bromo-4-{(E)-[1-(4-tert-butylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid is 500.06 g/mol.
Where can I buy (2-bromo-4-{(E)-[1-(4-tert-butylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid?
You can request a quote for (2-bromo-4-{(E)-[1-(4-tert-butylphenyl)-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-4-{(E)-[1-(4-tert-butylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2-bromo-4-{(E)-[1-(4-tert-butylphenyl)-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.