5-cinnamyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
TL;DR: 5-cinnamyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one (CAS 1164527-70-1) is a chemical compound with molecular formula C13H12N2O2S and molecular weight 260.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-5-[(E)-3-phenylprop-2-enyl]-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 5-cinnamyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one, 5-[(2E)-3-phenylprop-2-en-1-yl]-2-sulfanylpyrimidine-4,6-diol, 6-hydroxy-5-[(E)-3-phenylprop-2-enyl]-2-sulfanylidene-1H-pyrimidin-4-one, 6-hydroxy-5-(3-phenyl-2-propen-1-yl)-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone
| Molecular Formula | C13H12N2O2S |
|---|---|
| Molecular Weight | 260.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.06195 |
| Heavy Atoms | 18 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 1164527-70-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/CC2=C(NC(=S)NC2=O)O |
| InChIKey | BMTNNUZVWMBZGD-QPJJXVBHSA-N |
Product Overview
5-cinnamyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one (CAS 1164527-70-1), with molecular formula C13H12N2O2S and molecular weight 260.06 g/mol. IUPAC: 6-hydroxy-5-[(E)-3-phenylprop-2-enyl]-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 5-cinnamyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Property Insights of 5-cinnamyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-cinnamyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-cinnamyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one. Following Lipinski's Rule of Five, 5-cinnamyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one has 3 hydrogen bond donor(s) and 3 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-cinnamyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The CAS number of 5-cinnamyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is 1164527-70-1.
What is the molecular formula of 5-cinnamyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The molecular formula of 5-cinnamyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is C13H12N2O2S.
What is the molecular weight of 5-cinnamyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The molecular weight of 5-cinnamyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is 260.06 g/mol.
Where can I buy 5-cinnamyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
You can request a quote for 5-cinnamyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-cinnamyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-cinnamyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.