2-(4-((1-(4-(tert-butyl)phenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,6-dichlorophenoxy)acetic acid
TL;DR: 2-(4-((1-(4-(tert-butyl)phenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,6-dichlorophenoxy)acetic acid (CAS 313704-67-5) is a chemical compound with molecular formula C23H20Cl2N2O5S and molecular weight 506.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[[1-(4-tert-butylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,6-dichlorophenoxy]acetic acid
Also Known As: 2-(4-((1-(4-(tert-butyl)phenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,6-dichlorophenoxy)acetic acid, 2-[4-[[1-(4-tert-butylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,6-dichlorophenoxy]acetic acid
| Molecular Formula | C23H20Cl2N2O5S |
|---|---|
| Molecular Weight | 506.05 g/mol |
| LogP | 4.5856 |
| Topological Polar Surface Area | 95.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 506.047 |
| Heavy Atoms | 33 |
| Complexity | 1163.3232 |
Chemical Identifiers
| CAS Number | 313704-67-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)Cl)OCC(=O)O)Cl)C(=O)NC2=S |
Product Overview
2-(4-((1-(4-(tert-butyl)phenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,6-dichlorophenoxy)acetic acid (CAS 313704-67-5), with molecular formula C23H20Cl2N2O5S and molecular weight 506.05 g/mol. IUPAC: 2-[4-[[1-(4-tert-butylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,6-dichlorophenoxy]acetic acid.
Chemical Property Profile of 2-(4-((1-(4-(tert-butyl)phenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,6-dichlorophenoxy)acetic acid
Property Insights of 2-(4-((1-(4-(tert-butyl)phenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,6-dichlorophenoxy)acetic acid
The XLogP value of 4.5856 indicates that 2-(4-((1-(4-(tert-butyl)phenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,6-dichlorophenoxy)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-((1-(4-(tert-butyl)phenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,6-dichlorophenoxy)acetic acid. Following Lipinski's Rule of Five, 2-(4-((1-(4-(tert-butyl)phenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,6-dichlorophenoxy)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-(4-((1-(4-(tert-butyl)phenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,6-dichlorophenoxy)acetic acid?
The CAS number of 2-(4-((1-(4-(tert-butyl)phenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,6-dichlorophenoxy)acetic acid is 313704-67-5.
What is the molecular formula of 2-(4-((1-(4-(tert-butyl)phenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,6-dichlorophenoxy)acetic acid?
The molecular formula of 2-(4-((1-(4-(tert-butyl)phenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,6-dichlorophenoxy)acetic acid is C23H20Cl2N2O5S.
What is the molecular weight of 2-(4-((1-(4-(tert-butyl)phenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,6-dichlorophenoxy)acetic acid?
The molecular weight of 2-(4-((1-(4-(tert-butyl)phenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,6-dichlorophenoxy)acetic acid is 506.05 g/mol.
Where can I buy 2-(4-((1-(4-(tert-butyl)phenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,6-dichlorophenoxy)acetic acid?
You can request a quote for 2-(4-((1-(4-(tert-butyl)phenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,6-dichlorophenoxy)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-(4-((1-(4-(tert-butyl)phenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,6-dichlorophenoxy)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-((1-(4-(tert-butyl)phenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,6-dichlorophenoxy)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.