5-Methyl-5-((6-methyl-2-pyridyl)methyl)-2-thiobarbituric acid
TL;DR: 5-Methyl-5-((6-methyl-2-pyridyl)methyl)-2-thiobarbituric acid (CAS 105339-42-2) is a chemical compound with molecular formula C12H13N3O2S and molecular weight 263.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-5-[(6-methyl-2-pyridinyl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 5-Lutidyl-5-methylthiobarbituric acid, 5-26-06-00340 (Beilstein Handbook Reference), 5-Methyl-5-((6-methyl-2-pyridyl)methyl)-2-thiobarbituric acid, BARBITURIC ACID, 5-METHYL-5-((6-METHYL-2-PYRIDYL)METHYL)-2-THIO-, 4,6-Dihydroxy-5-methyl-5-[(6-methylpyridin-2-yl)methyl]pyrimidine-2(5H)-thione
| Molecular Formula | C12H13N3O2S |
|---|---|
| Molecular Weight | 263.07 g/mol |
| LogP | 0.46972 |
| Topological Polar Surface Area | 71.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.07285 |
| Heavy Atoms | 18 |
| Complexity | 521.87897 |
Chemical Identifiers
| CAS Number | 105339-42-2 |
|---|---|
| SMILES | CC1=NC(=CC=C1)CC2(C(=O)NC(=S)NC2=O)C |
Product Overview
5-Methyl-5-((6-methyl-2-pyridyl)methyl)-2-thiobarbituric acid (CAS 105339-42-2), with molecular formula C12H13N3O2S and molecular weight 263.07 g/mol. IUPAC: 5-methyl-5-[(6-methyl-2-pyridinyl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 5-Methyl-5-((6-methyl-2-pyridyl)methyl)-2-thiobarbituric acid
Property Insights of 5-Methyl-5-((6-methyl-2-pyridyl)methyl)-2-thiobarbituric acid
The XLogP value of 0.46972 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-5-((6-methyl-2-pyridyl)methyl)-2-thiobarbituric acid. The TPSA of 71.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methyl-5-((6-methyl-2-pyridyl)methyl)-2-thiobarbituric acid. Following Lipinski's Rule of Five, 5-Methyl-5-((6-methyl-2-pyridyl)methyl)-2-thiobarbituric acid has 2 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-Methyl-5-((6-methyl-2-pyridyl)methyl)-2-thiobarbituric acid?
The CAS number of 5-Methyl-5-((6-methyl-2-pyridyl)methyl)-2-thiobarbituric acid is 105339-42-2.
What is the molecular formula of 5-Methyl-5-((6-methyl-2-pyridyl)methyl)-2-thiobarbituric acid?
The molecular formula of 5-Methyl-5-((6-methyl-2-pyridyl)methyl)-2-thiobarbituric acid is C12H13N3O2S.
What is the molecular weight of 5-Methyl-5-((6-methyl-2-pyridyl)methyl)-2-thiobarbituric acid?
The molecular weight of 5-Methyl-5-((6-methyl-2-pyridyl)methyl)-2-thiobarbituric acid is 263.07 g/mol.
Where can I buy 5-Methyl-5-((6-methyl-2-pyridyl)methyl)-2-thiobarbituric acid?
You can request a quote for 5-Methyl-5-((6-methyl-2-pyridyl)methyl)-2-thiobarbituric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-5-((6-methyl-2-pyridyl)methyl)-2-thiobarbituric acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-5-((6-methyl-2-pyridyl)methyl)-2-thiobarbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.