(Z)-4-((4-((1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzoic acid
TL;DR: (Z)-4-((4-((1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzoic acid (CAS 690967-56-7) is a chemical compound with molecular formula C26H19ClN2O6 and molecular weight 490.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-[(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid
Also Known As: (Z)-4-((4-((1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzoic acid, 4-[(4-{(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)methyl]benzoic acid, 4-[[4-[(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid
| Molecular Formula | C26H19ClN2O6 |
|---|---|
| Molecular Weight | 490.09 g/mol |
| LogP | 4.59202 |
| Topological Polar Surface Area | 113.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 490.09317 |
| Heavy Atoms | 35 |
| Complexity | 1363.5944 |
Chemical Identifiers
| CAS Number | 690967-56-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=O)/C(=C\C3=CC=C(C=C3)OCC4=CC=C(C=C4)C(=O)O)/C(=O)NC2=O)Cl |
Product Overview
(Z)-4-((4-((1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzoic acid (CAS 690967-56-7), with molecular formula C26H19ClN2O6 and molecular weight 490.09 g/mol. IUPAC: 4-[[4-[(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid.
Chemical Property Profile of (Z)-4-((4-((1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzoic acid
Property Insights of (Z)-4-((4-((1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzoic acid
The XLogP value of 4.59202 indicates that (Z)-4-((4-((1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzoic 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 (Z)-4-((4-((1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzoic acid. Following Lipinski's Rule of Five, (Z)-4-((4-((1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzoic 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 (Z)-4-((4-((1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzoic acid?
The CAS number of (Z)-4-((4-((1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzoic acid is 690967-56-7.
What is the molecular formula of (Z)-4-((4-((1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzoic acid?
The molecular formula of (Z)-4-((4-((1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzoic acid is C26H19ClN2O6.
What is the molecular weight of (Z)-4-((4-((1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzoic acid?
The molecular weight of (Z)-4-((4-((1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzoic acid is 490.09 g/mol.
Where can I buy (Z)-4-((4-((1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzoic acid?
You can request a quote for (Z)-4-((4-((1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-4-((4-((1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-4-((4-((1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.