5-(4-Methoxybenzyl)-6-methyl-2-sulfanylpyrimidin-4-ol
TL;DR: 5-(4-Methoxybenzyl)-6-methyl-2-sulfanylpyrimidin-4-ol (CAS 16682-31-8) is a chemical compound with molecular formula C13H14N2O2S and molecular weight 262.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-methoxyphenyl)methyl]-6-methyl-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 2-mercapto-5-(4-methoxybenzyl)-6-methylpyrimidin-4-ol, 5-(4-methoxybenzyl)-6-methyl-2-sulfanylpyrimidin-4-ol, 5-[(4-methoxyphenyl)methyl]-6-methyl-2-sulfanylidene-1H-pyrimidin-4-one
| Molecular Formula | C13H14N2O2S |
|---|---|
| Molecular Weight | 262.08 g/mol |
| LogP | 2.34031 |
| Topological Polar Surface Area | 57.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.0776 |
| Heavy Atoms | 18 |
| Complexity | 655.9268 |
Chemical Identifiers
| CAS Number | 16682-31-8 |
|---|---|
| SMILES | CC1=C(C(=O)NC(=S)N1)CC2=CC=C(C=C2)OC |
Product Overview
5-(4-Methoxybenzyl)-6-methyl-2-sulfanylpyrimidin-4-ol (CAS 16682-31-8), with molecular formula C13H14N2O2S and molecular weight 262.08 g/mol. IUPAC: 5-[(4-methoxyphenyl)methyl]-6-methyl-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 5-(4-Methoxybenzyl)-6-methyl-2-sulfanylpyrimidin-4-ol
Property Insights of 5-(4-Methoxybenzyl)-6-methyl-2-sulfanylpyrimidin-4-ol
The XLogP value of 2.34031 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Methoxybenzyl)-6-methyl-2-sulfanylpyrimidin-4-ol. With a topological polar surface area (TPSA) of 57.88 Ų, 5-(4-Methoxybenzyl)-6-methyl-2-sulfanylpyrimidin-4-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-Methoxybenzyl)-6-methyl-2-sulfanylpyrimidin-4-ol has 2 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-(4-Methoxybenzyl)-6-methyl-2-sulfanylpyrimidin-4-ol?
The CAS number of 5-(4-Methoxybenzyl)-6-methyl-2-sulfanylpyrimidin-4-ol is 16682-31-8.
What is the molecular formula of 5-(4-Methoxybenzyl)-6-methyl-2-sulfanylpyrimidin-4-ol?
The molecular formula of 5-(4-Methoxybenzyl)-6-methyl-2-sulfanylpyrimidin-4-ol is C13H14N2O2S.
What is the molecular weight of 5-(4-Methoxybenzyl)-6-methyl-2-sulfanylpyrimidin-4-ol?
The molecular weight of 5-(4-Methoxybenzyl)-6-methyl-2-sulfanylpyrimidin-4-ol is 262.08 g/mol.
Where can I buy 5-(4-Methoxybenzyl)-6-methyl-2-sulfanylpyrimidin-4-ol?
You can request a quote for 5-(4-Methoxybenzyl)-6-methyl-2-sulfanylpyrimidin-4-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Methoxybenzyl)-6-methyl-2-sulfanylpyrimidin-4-ol?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Methoxybenzyl)-6-methyl-2-sulfanylpyrimidin-4-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.