![2-{[4-(Tert-butyl)benzyl]sulfanyl}-5-methoxy-4-pyrimidinol structure](/static/products/3392/339275-98-8.webp)
2-{[4-(Tert-butyl)benzyl]sulfanyl}-5-methoxy-4-pyrimidinol
TL;DR: 2-{[4-(Tert-butyl)benzyl]sulfanyl}-5-methoxy-4-pyrimidinol (CAS 339275-98-8) is a chemical compound with molecular formula C16H20N2O2S and molecular weight 304.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-tert-butylphenyl)methylsulfanyl]-5-methoxy-1H-pyrimidin-6-one
Also Known As: 2-{[4-(tert-butyl)benzyl]sulfanyl}-5-methoxy-4-pyrimidinol, 4J-657S, 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-5-methoxypyrimidin-4-ol, 2-[(4-tert-butylphenyl)methylsulfanyl]-5-methoxy-1H-pyrimidin-6-one
| Molecular Formula | C16H20N2O2S |
|---|---|
| Molecular Weight | 304.12 g/mol |
| LogP | 3.3683 |
| Topological Polar Surface Area | 54.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 304.12454 |
| Heavy Atoms | 21 |
| Complexity | 657.2126 |
Chemical Identifiers
| CAS Number | 339275-98-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CSC2=NC=C(C(=O)N2)OC |
Product Overview
2-{[4-(Tert-butyl)benzyl]sulfanyl}-5-methoxy-4-pyrimidinol (CAS 339275-98-8), with molecular formula C16H20N2O2S and molecular weight 304.12 g/mol. IUPAC: 2-[(4-tert-butylphenyl)methylsulfanyl]-5-methoxy-1H-pyrimidin-6-one.
Chemical Property Profile of 2-{[4-(Tert-butyl)benzyl]sulfanyl}-5-methoxy-4-pyrimidinol
Property Insights of 2-{[4-(Tert-butyl)benzyl]sulfanyl}-5-methoxy-4-pyrimidinol
The XLogP value of 3.3683 indicates that 2-{[4-(Tert-butyl)benzyl]sulfanyl}-5-methoxy-4-pyrimidinol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.98 Ų, 2-{[4-(Tert-butyl)benzyl]sulfanyl}-5-methoxy-4-pyrimidinol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[4-(Tert-butyl)benzyl]sulfanyl}-5-methoxy-4-pyrimidinol has 1 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 2-{[4-(Tert-butyl)benzyl]sulfanyl}-5-methoxy-4-pyrimidinol?
The CAS number of 2-{[4-(Tert-butyl)benzyl]sulfanyl}-5-methoxy-4-pyrimidinol is 339275-98-8.
What is the molecular formula of 2-{[4-(Tert-butyl)benzyl]sulfanyl}-5-methoxy-4-pyrimidinol?
The molecular formula of 2-{[4-(Tert-butyl)benzyl]sulfanyl}-5-methoxy-4-pyrimidinol is C16H20N2O2S.
What is the molecular weight of 2-{[4-(Tert-butyl)benzyl]sulfanyl}-5-methoxy-4-pyrimidinol?
The molecular weight of 2-{[4-(Tert-butyl)benzyl]sulfanyl}-5-methoxy-4-pyrimidinol is 304.12 g/mol.
Where can I buy 2-{[4-(Tert-butyl)benzyl]sulfanyl}-5-methoxy-4-pyrimidinol?
You can request a quote for 2-{[4-(Tert-butyl)benzyl]sulfanyl}-5-methoxy-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-{[4-(Tert-butyl)benzyl]sulfanyl}-5-methoxy-4-pyrimidinol?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-(Tert-butyl)benzyl]sulfanyl}-5-methoxy-4-pyrimidinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.