1-allyl-5-(3,4-dihydroxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione
TL;DR: 1-allyl-5-(3,4-dihydroxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 300733-40-8) is a chemical compound with molecular formula C14H12N2O5 and molecular weight 288.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
Also Known As: 1-allyl-5-(3,4-dihydroxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione, (5Z)-5-(3,4-dihydroxybenzylidene)-1-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione, (5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione, (Z)-1-allyl-5-(3,4-dihydroxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C14H12N2O5 |
|---|---|
| Molecular Weight | 288.07 g/mol |
| LogP | 0.7456 |
| Topological Polar Surface Area | 106.94 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.07462 |
| Heavy Atoms | 21 |
| Complexity | 677.94196 |
Chemical Identifiers
| CAS Number | 300733-40-8 |
|---|---|
| SMILES | C=CCN1C(=O)/C(=C\C2=CC(=C(C=C2)O)O)/C(=O)NC1=O |
Product Overview
1-allyl-5-(3,4-dihydroxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 300733-40-8), with molecular formula C14H12N2O5 and molecular weight 288.07 g/mol. IUPAC: (5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 1-allyl-5-(3,4-dihydroxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione
Property Insights of 1-allyl-5-(3,4-dihydroxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione
The XLogP value of 0.7456 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-allyl-5-(3,4-dihydroxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione. The TPSA of 106.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-allyl-5-(3,4-dihydroxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione. Following Lipinski's Rule of Five, 1-allyl-5-(3,4-dihydroxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione has 3 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 1-allyl-5-(3,4-dihydroxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione?
The CAS number of 1-allyl-5-(3,4-dihydroxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione is 300733-40-8.
What is the molecular formula of 1-allyl-5-(3,4-dihydroxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular formula of 1-allyl-5-(3,4-dihydroxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione is C14H12N2O5.
What is the molecular weight of 1-allyl-5-(3,4-dihydroxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular weight of 1-allyl-5-(3,4-dihydroxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione is 288.07 g/mol.
Where can I buy 1-allyl-5-(3,4-dihydroxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione?
You can request a quote for 1-allyl-5-(3,4-dihydroxybenzylidene)-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 1-allyl-5-(3,4-dihydroxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione?
Yes, KEHONG BIO provides custom synthesis services for 1-allyl-5-(3,4-dihydroxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.