![5-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one structure](/static/products/4918/491831-29-9.webp)
5-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
TL;DR: 5-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one (CAS 491831-29-9) is a chemical compound with molecular formula C17H16N4O3S and molecular weight 356.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 5-((1-(3,4-Dimethylphenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C17H16N4O3S |
|---|---|
| Molecular Weight | 356.09 g/mol |
| LogP | 2.56103 |
| Topological Polar Surface Area | 101.55 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 356.0943 |
| Heavy Atoms | 25 |
| Complexity | 1062.2931 |
Chemical Identifiers
| CAS Number | 491831-29-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=O)C(=CC3=C(NC(=S)NC3=O)O)C(=N2)C)C |
Product Overview
5-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one (CAS 491831-29-9), with molecular formula C17H16N4O3S and molecular weight 356.09 g/mol. IUPAC: 5-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 5-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
Property Insights of 5-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
The XLogP value of 2.56103 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one. The TPSA of 101.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one. Following Lipinski's Rule of Five, 5-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one 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 5-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one?
The CAS number of 5-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one is 491831-29-9.
What is the molecular formula of 5-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one?
The molecular formula of 5-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one is C17H16N4O3S.
What is the molecular weight of 5-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one?
The molecular weight of 5-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one is 356.09 g/mol.
Where can I buy 5-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one?
You can request a quote for 5-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.