![(2-chloro-4-{(E)-[1-(2,3-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid structure](/static/products/4284/428462-68-4.webp)
(2-chloro-4-{(E)-[1-(2,3-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid
TL;DR: (2-chloro-4-{(E)-[1-(2,3-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid (CAS 428462-68-4) is a chemical compound with molecular formula C21H17ClN2O6 and molecular weight 428.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-chloro-4-[(E)-[1-(2,3-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid
Also Known As: (2-chloro-4-{(E)-[1-(2,3-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid, (E)-2-(2-chloro-4-((1-(2,3-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetic acid, 2-(2-CHLORO-4-{[1-(2,3-DIMETHYLPHENYL)-2,4,6-TRIOXOTETRAHYDRO-5(2H)-PYRIMIDINYLIDEN]METHYL}PHENOXY)ACETIC ACID, 2-[2-chloro-4-[(E)-[1-(2,3-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid
| Molecular Formula | C21H17ClN2O6 |
|---|---|
| Molecular Weight | 428.08 g/mol |
| LogP | 3.08664 |
| Topological Polar Surface Area | 113.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.0775 |
| Heavy Atoms | 30 |
| Complexity | 1108.6705 |
Chemical Identifiers
| CAS Number | 428462-68-4 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)N2C(=O)/C(=C/C3=CC(=C(C=C3)OCC(=O)O)Cl)/C(=O)NC2=O)C |
Product Overview
(2-chloro-4-{(E)-[1-(2,3-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid (CAS 428462-68-4), with molecular formula C21H17ClN2O6 and molecular weight 428.08 g/mol. IUPAC: 2-[2-chloro-4-[(E)-[1-(2,3-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid.
Chemical Property Profile of (2-chloro-4-{(E)-[1-(2,3-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid
Property Insights of (2-chloro-4-{(E)-[1-(2,3-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid
The XLogP value of 3.08664 indicates that (2-chloro-4-{(E)-[1-(2,3-dimethylphenyl)-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-chloro-4-{(E)-[1-(2,3-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid. Following Lipinski's Rule of Five, (2-chloro-4-{(E)-[1-(2,3-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid has 2 hydrogen bond donor(s) and 5 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-chloro-4-{(E)-[1-(2,3-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid?
The CAS number of (2-chloro-4-{(E)-[1-(2,3-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid is 428462-68-4.
What is the molecular formula of (2-chloro-4-{(E)-[1-(2,3-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid?
The molecular formula of (2-chloro-4-{(E)-[1-(2,3-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid is C21H17ClN2O6.
What is the molecular weight of (2-chloro-4-{(E)-[1-(2,3-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid?
The molecular weight of (2-chloro-4-{(E)-[1-(2,3-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid is 428.08 g/mol.
Where can I buy (2-chloro-4-{(E)-[1-(2,3-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid?
You can request a quote for (2-chloro-4-{(E)-[1-(2,3-dimethylphenyl)-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-chloro-4-{(E)-[1-(2,3-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2-chloro-4-{(E)-[1-(2,3-dimethylphenyl)-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.