![5-[(6-chloro-1,3-benzodioxol-5-yl)methylene]-1-(3-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione structure](/static/products/5810/5810-14-0.webp)
5-[(6-chloro-1,3-benzodioxol-5-yl)methylene]-1-(3-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
TL;DR: 5-[(6-chloro-1,3-benzodioxol-5-yl)methylene]-1-(3-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 5810-14-0) is a chemical compound with molecular formula C19H13ClN2O5 and molecular weight 384.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione
Also Known As: 5-[(6-chloro-1,3-benzodioxol-5-yl)methylene]-1-(3-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione, (5E)-5-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione
| Molecular Formula | C19H13ClN2O5 |
|---|---|
| Molecular Weight | 384.05 g/mol |
| LogP | 3.04352 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 384.0513 |
| Heavy Atoms | 27 |
| Complexity | 1030.7552 |
Chemical Identifiers
| CAS Number | 5810-14-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)/C(=C/C3=CC4=C(C=C3Cl)OCO4)/C(=O)NC2=O |
Product Overview
5-[(6-chloro-1,3-benzodioxol-5-yl)methylene]-1-(3-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 5810-14-0), with molecular formula C19H13ClN2O5 and molecular weight 384.05 g/mol. IUPAC: (5E)-5-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-[(6-chloro-1,3-benzodioxol-5-yl)methylene]-1-(3-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Property Insights of 5-[(6-chloro-1,3-benzodioxol-5-yl)methylene]-1-(3-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
The XLogP value of 3.04352 indicates that 5-[(6-chloro-1,3-benzodioxol-5-yl)methylene]-1-(3-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(6-chloro-1,3-benzodioxol-5-yl)methylene]-1-(3-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione. Following Lipinski's Rule of Five, 5-[(6-chloro-1,3-benzodioxol-5-yl)methylene]-1-(3-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione has 1 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 5-[(6-chloro-1,3-benzodioxol-5-yl)methylene]-1-(3-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione?
The CAS number of 5-[(6-chloro-1,3-benzodioxol-5-yl)methylene]-1-(3-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione is 5810-14-0.
What is the molecular formula of 5-[(6-chloro-1,3-benzodioxol-5-yl)methylene]-1-(3-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular formula of 5-[(6-chloro-1,3-benzodioxol-5-yl)methylene]-1-(3-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione is C19H13ClN2O5.
What is the molecular weight of 5-[(6-chloro-1,3-benzodioxol-5-yl)methylene]-1-(3-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular weight of 5-[(6-chloro-1,3-benzodioxol-5-yl)methylene]-1-(3-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione is 384.05 g/mol.
Where can I buy 5-[(6-chloro-1,3-benzodioxol-5-yl)methylene]-1-(3-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione?
You can request a quote for 5-[(6-chloro-1,3-benzodioxol-5-yl)methylene]-1-(3-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(6-chloro-1,3-benzodioxol-5-yl)methylene]-1-(3-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione?
Yes, KEHONG BIO provides custom synthesis services for 5-[(6-chloro-1,3-benzodioxol-5-yl)methylene]-1-(3-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.