4-Hydroxy-2-mercapto-5-methyl-6-(3-methylbenzyl)pyrimidine
TL;DR: 4-Hydroxy-2-mercapto-5-methyl-6-(3-methylbenzyl)pyrimidine (CAS 169772-17-2) is a chemical compound with molecular formula C13H14N2OS and molecular weight 246.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-6-[(3-methylphenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: S-DABO deriv., DABO Thio Analogue 5b, 4-Hydroxy-2-mercapto-5-methyl-6-(3-methylbenzyl)pyrimidine, 5-methyl-6-(m-tolylmethyl)-2-thioxo-1H-pyrimidin-4-one, 4-Hydroxy-2-mercapto-5-methyl-6-(3'-methylbenzyl)pyrimidine
| Molecular Formula | C13H14N2OS |
|---|---|
| Molecular Weight | 246.08 g/mol |
| LogP | 2.64013 |
| Topological Polar Surface Area | 48.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.08269 |
| Heavy Atoms | 17 |
| Complexity | 654.9544 |
Chemical Identifiers
| CAS Number | 169772-17-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CC2=C(C(=O)NC(=S)N2)C |
Product Overview
4-Hydroxy-2-mercapto-5-methyl-6-(3-methylbenzyl)pyrimidine (CAS 169772-17-2), with molecular formula C13H14N2OS and molecular weight 246.08 g/mol. IUPAC: 5-methyl-6-[(3-methylphenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 4-Hydroxy-2-mercapto-5-methyl-6-(3-methylbenzyl)pyrimidine
Property Insights of 4-Hydroxy-2-mercapto-5-methyl-6-(3-methylbenzyl)pyrimidine
The XLogP value of 2.64013 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-2-mercapto-5-methyl-6-(3-methylbenzyl)pyrimidine. With a topological polar surface area (TPSA) of 48.65 Ų, 4-Hydroxy-2-mercapto-5-methyl-6-(3-methylbenzyl)pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxy-2-mercapto-5-methyl-6-(3-methylbenzyl)pyrimidine has 2 hydrogen bond donor(s) and 2 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 4-Hydroxy-2-mercapto-5-methyl-6-(3-methylbenzyl)pyrimidine?
The CAS number of 4-Hydroxy-2-mercapto-5-methyl-6-(3-methylbenzyl)pyrimidine is 169772-17-2.
What is the molecular formula of 4-Hydroxy-2-mercapto-5-methyl-6-(3-methylbenzyl)pyrimidine?
The molecular formula of 4-Hydroxy-2-mercapto-5-methyl-6-(3-methylbenzyl)pyrimidine is C13H14N2OS.
What is the molecular weight of 4-Hydroxy-2-mercapto-5-methyl-6-(3-methylbenzyl)pyrimidine?
The molecular weight of 4-Hydroxy-2-mercapto-5-methyl-6-(3-methylbenzyl)pyrimidine is 246.08 g/mol.
Where can I buy 4-Hydroxy-2-mercapto-5-methyl-6-(3-methylbenzyl)pyrimidine?
You can request a quote for 4-Hydroxy-2-mercapto-5-methyl-6-(3-methylbenzyl)pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-2-mercapto-5-methyl-6-(3-methylbenzyl)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-2-mercapto-5-methyl-6-(3-methylbenzyl)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.