(Z)-2-(4-((1-(4-(sec-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetic acid
TL;DR: (Z)-2-(4-((1-(4-(sec-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetic acid (CAS 799824-33-2) is a chemical compound with molecular formula C23H22N2O6 and molecular weight 422.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(Z)-[1-(4-butan-2-ylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid
Also Known As: (Z)-2-(4-((1-(4-(sec-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetic acid, {4-[(Z)-{1-[4-(butan-2-yl)phenyl]-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene}methyl]phenoxy}acetic acid, 2-[4-[(Z)-[1-(4-butan-2-ylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid, 2-[4-[[1-(4-butan-2-ylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic Acid
| Molecular Formula | C23H22N2O6 |
|---|---|
| Molecular Weight | 422.15 g/mol |
| LogP | 3.3299 |
| Topological Polar Surface Area | 113.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 422.1478 |
| Heavy Atoms | 31 |
| Complexity | 1040.7413 |
Chemical Identifiers
| CAS Number | 799824-33-2 |
|---|---|
| SMILES | CCC(C)C1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC=C(C=C3)OCC(=O)O)/C(=O)NC2=O |
Product Overview
(Z)-2-(4-((1-(4-(sec-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetic acid (CAS 799824-33-2), with molecular formula C23H22N2O6 and molecular weight 422.15 g/mol. IUPAC: 2-[4-[(Z)-[1-(4-butan-2-ylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid.
Chemical Property Profile of (Z)-2-(4-((1-(4-(sec-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetic acid
Property Insights of (Z)-2-(4-((1-(4-(sec-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetic acid
The XLogP value of 3.3299 indicates that (Z)-2-(4-((1-(4-(sec-butyl)phenyl)-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 (Z)-2-(4-((1-(4-(sec-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetic acid. Following Lipinski's Rule of Five, (Z)-2-(4-((1-(4-(sec-butyl)phenyl)-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 (Z)-2-(4-((1-(4-(sec-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetic acid?
The CAS number of (Z)-2-(4-((1-(4-(sec-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetic acid is 799824-33-2.
What is the molecular formula of (Z)-2-(4-((1-(4-(sec-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetic acid?
The molecular formula of (Z)-2-(4-((1-(4-(sec-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetic acid is C23H22N2O6.
What is the molecular weight of (Z)-2-(4-((1-(4-(sec-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetic acid?
The molecular weight of (Z)-2-(4-((1-(4-(sec-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetic acid is 422.15 g/mol.
Where can I buy (Z)-2-(4-((1-(4-(sec-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetic acid?
You can request a quote for (Z)-2-(4-((1-(4-(sec-butyl)phenyl)-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 (Z)-2-(4-((1-(4-(sec-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(4-((1-(4-(sec-butyl)phenyl)-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.