(E)-5-(3,4-dihydroxybenzylidene)-2-thioxo-1-(o-tolyl)dihydropyrimidine-4,6(1H,5H)-dione
TL;DR: (E)-5-(3,4-dihydroxybenzylidene)-2-thioxo-1-(o-tolyl)dihydropyrimidine-4,6(1H,5H)-dione (CAS 369608-23-1) is a chemical compound with molecular formula C18H14N2O4S and molecular weight 354.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(3,4-dihydroxyphenyl)methylidene]-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: (E)-5-(3,4-dihydroxybenzylidene)-2-thioxo-1-(o-tolyl)dihydropyrimidine-4,6(1H,5H)-dione, (5E)-5-(3,4-dihydroxybenzylidene)-1-(2-methylphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (5E)-5-[(3,4-dihydroxyphenyl)methylidene]-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C18H14N2O4S |
|---|---|
| Molecular Weight | 354.07 g/mol |
| LogP | 2.23752 |
| Topological Polar Surface Area | 89.87 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 354.0674 |
| Heavy Atoms | 25 |
| Complexity | 936.42334 |
Chemical Identifiers
| CAS Number | 369608-23-1 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=O)/C(=C/C3=CC(=C(C=C3)O)O)/C(=O)NC2=S |
Product Overview
(E)-5-(3,4-dihydroxybenzylidene)-2-thioxo-1-(o-tolyl)dihydropyrimidine-4,6(1H,5H)-dione (CAS 369608-23-1), with molecular formula C18H14N2O4S and molecular weight 354.07 g/mol. IUPAC: (5E)-5-[(3,4-dihydroxyphenyl)methylidene]-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of (E)-5-(3,4-dihydroxybenzylidene)-2-thioxo-1-(o-tolyl)dihydropyrimidine-4,6(1H,5H)-dione
Property Insights of (E)-5-(3,4-dihydroxybenzylidene)-2-thioxo-1-(o-tolyl)dihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 2.23752 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-5-(3,4-dihydroxybenzylidene)-2-thioxo-1-(o-tolyl)dihydropyrimidine-4,6(1H,5H)-dione. The TPSA of 89.87 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-5-(3,4-dihydroxybenzylidene)-2-thioxo-1-(o-tolyl)dihydropyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, (E)-5-(3,4-dihydroxybenzylidene)-2-thioxo-1-(o-tolyl)dihydropyrimidine-4,6(1H,5H)-dione 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 (E)-5-(3,4-dihydroxybenzylidene)-2-thioxo-1-(o-tolyl)dihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of (E)-5-(3,4-dihydroxybenzylidene)-2-thioxo-1-(o-tolyl)dihydropyrimidine-4,6(1H,5H)-dione is 369608-23-1.
What is the molecular formula of (E)-5-(3,4-dihydroxybenzylidene)-2-thioxo-1-(o-tolyl)dihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of (E)-5-(3,4-dihydroxybenzylidene)-2-thioxo-1-(o-tolyl)dihydropyrimidine-4,6(1H,5H)-dione is C18H14N2O4S.
What is the molecular weight of (E)-5-(3,4-dihydroxybenzylidene)-2-thioxo-1-(o-tolyl)dihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of (E)-5-(3,4-dihydroxybenzylidene)-2-thioxo-1-(o-tolyl)dihydropyrimidine-4,6(1H,5H)-dione is 354.07 g/mol.
Where can I buy (E)-5-(3,4-dihydroxybenzylidene)-2-thioxo-1-(o-tolyl)dihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for (E)-5-(3,4-dihydroxybenzylidene)-2-thioxo-1-(o-tolyl)dihydropyrimidine-4,6(1H,5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-5-(3,4-dihydroxybenzylidene)-2-thioxo-1-(o-tolyl)dihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-(3,4-dihydroxybenzylidene)-2-thioxo-1-(o-tolyl)dihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.