5-(3-hydroxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: 5-(3-hydroxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 419541-13-2) is a chemical compound with molecular formula C11H8N2O3S and molecular weight 248.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: J3.156.889G, 5-[(3-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-(3-Hydroxybenzylidene)-2-thioxo-2,3-dihydropyrimidine-4,6(1H,5H)-dione, 5-(3-hydroxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione, 5-(3-hydroxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C11H8N2O3S |
|---|---|
| Molecular Weight | 248.03 g/mol |
| LogP | 0.3065 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 248.02556 |
| Heavy Atoms | 17 |
| Complexity | 529.40247 |
Chemical Identifiers
| CAS Number | 419541-13-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)O)C=C2C(=O)NC(=S)NC2=O |
Product Overview
5-(3-hydroxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 419541-13-2), with molecular formula C11H8N2O3S and molecular weight 248.03 g/mol. IUPAC: 5-[(3-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 5-(3-hydroxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of 5-(3-hydroxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 0.3065 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-hydroxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-hydroxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, 5-(3-hydroxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione has 3 hydrogen bond donor(s) and 4 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-(3-hydroxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of 5-(3-hydroxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 419541-13-2.
What is the molecular formula of 5-(3-hydroxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of 5-(3-hydroxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C11H8N2O3S.
What is the molecular weight of 5-(3-hydroxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of 5-(3-hydroxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 248.03 g/mol.
Where can I buy 5-(3-hydroxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for 5-(3-hydroxybenzylidene)-2-thioxodihydropyrimidine-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 5-(3-hydroxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-hydroxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.