2-Mercapto-6-methyl-5-octyl-4-pyrimidinol
TL;DR: 2-Mercapto-6-methyl-5-octyl-4-pyrimidinol (CAS 59224-18-9) is a chemical compound with molecular formula C13H22N2OS and molecular weight 254.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-5-octyl-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 2-mercapto-6-methyl-5-octyl-4-pyrimidinol, 6-methyl-5-octyl-2-sulfanylidene-1H-pyrimidin-4-one, 2,3-dihydro-6-methyl-5-octyl-2-thioxopyrimidin-4(1H)-one
| Molecular Formula | C13H22N2OS |
|---|---|
| Molecular Weight | 254.15 g/mol |
| LogP | 3.64391 |
| Topological Polar Surface Area | 48.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 254.14528 |
| Heavy Atoms | 17 |
| Complexity | 447.46808 |
Chemical Identifiers
| CAS Number | 59224-18-9 |
|---|---|
| SMILES | CCCCCCCCC1=C(NC(=S)NC1=O)C |
Product Overview
2-Mercapto-6-methyl-5-octyl-4-pyrimidinol (CAS 59224-18-9), with molecular formula C13H22N2OS and molecular weight 254.15 g/mol. IUPAC: 6-methyl-5-octyl-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 2-Mercapto-6-methyl-5-octyl-4-pyrimidinol
Property Insights of 2-Mercapto-6-methyl-5-octyl-4-pyrimidinol
The XLogP value of 3.64391 indicates that 2-Mercapto-6-methyl-5-octyl-4-pyrimidinol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.65 Ų, 2-Mercapto-6-methyl-5-octyl-4-pyrimidinol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Mercapto-6-methyl-5-octyl-4-pyrimidinol 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 2-Mercapto-6-methyl-5-octyl-4-pyrimidinol?
The CAS number of 2-Mercapto-6-methyl-5-octyl-4-pyrimidinol is 59224-18-9.
What is the molecular formula of 2-Mercapto-6-methyl-5-octyl-4-pyrimidinol?
The molecular formula of 2-Mercapto-6-methyl-5-octyl-4-pyrimidinol is C13H22N2OS.
What is the molecular weight of 2-Mercapto-6-methyl-5-octyl-4-pyrimidinol?
The molecular weight of 2-Mercapto-6-methyl-5-octyl-4-pyrimidinol is 254.15 g/mol.
Where can I buy 2-Mercapto-6-methyl-5-octyl-4-pyrimidinol?
You can request a quote for 2-Mercapto-6-methyl-5-octyl-4-pyrimidinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Mercapto-6-methyl-5-octyl-4-pyrimidinol?
Yes, KEHONG BIO provides custom synthesis services for 2-Mercapto-6-methyl-5-octyl-4-pyrimidinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.