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Methyl 4-[(4-methylphenyl)sulfanyl]-2-phenyl-5-pyrimidinyl ether
TL;DR: Methyl 4-[(4-methylphenyl)sulfanyl]-2-phenyl-5-pyrimidinyl ether (CAS 4696-05-3) is a chemical compound with molecular formula C18H16N2OS and molecular weight 308.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxy-4-(4-methylphenyl)sulfanyl-2-phenylpyrimidine
Also Known As: 12P-591S, 5-methoxy-4-[(4-methylphenyl)sulfanyl]-2-phenylpyrimidine, methyl 4-[(4-methylphenyl)sulfanyl]-2-phenyl-5-pyrimidinyl ether, 5-methoxy-4-(4-methylphenyl)sulfanyl-2-phenylpyrimidine, 5-methoxy-4-(4-methylphenyl)sulfanyl-2-phenyl-pyrimidine
| Molecular Formula | C18H16N2OS |
|---|---|
| Molecular Weight | 308.10 g/mol |
| LogP | 4.61182 |
| Topological Polar Surface Area | 35.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.09833 |
| Heavy Atoms | 22 |
| Complexity | 757.8007 |
Chemical Identifiers
| CAS Number | 4696-05-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=NC(=NC=C2OC)C3=CC=CC=C3 |
Product Overview
Methyl 4-[(4-methylphenyl)sulfanyl]-2-phenyl-5-pyrimidinyl ether (CAS 4696-05-3), with molecular formula C18H16N2OS and molecular weight 308.10 g/mol. IUPAC: 5-methoxy-4-(4-methylphenyl)sulfanyl-2-phenylpyrimidine.
Chemical Property Profile of Methyl 4-[(4-methylphenyl)sulfanyl]-2-phenyl-5-pyrimidinyl ether
Property Insights of Methyl 4-[(4-methylphenyl)sulfanyl]-2-phenyl-5-pyrimidinyl ether
The XLogP value of 4.61182 indicates that Methyl 4-[(4-methylphenyl)sulfanyl]-2-phenyl-5-pyrimidinyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.01 Ų, Methyl 4-[(4-methylphenyl)sulfanyl]-2-phenyl-5-pyrimidinyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-[(4-methylphenyl)sulfanyl]-2-phenyl-5-pyrimidinyl ether has 0 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 Methyl 4-[(4-methylphenyl)sulfanyl]-2-phenyl-5-pyrimidinyl ether?
The CAS number of Methyl 4-[(4-methylphenyl)sulfanyl]-2-phenyl-5-pyrimidinyl ether is 4696-05-3.
What is the molecular formula of Methyl 4-[(4-methylphenyl)sulfanyl]-2-phenyl-5-pyrimidinyl ether?
The molecular formula of Methyl 4-[(4-methylphenyl)sulfanyl]-2-phenyl-5-pyrimidinyl ether is C18H16N2OS.
What is the molecular weight of Methyl 4-[(4-methylphenyl)sulfanyl]-2-phenyl-5-pyrimidinyl ether?
The molecular weight of Methyl 4-[(4-methylphenyl)sulfanyl]-2-phenyl-5-pyrimidinyl ether is 308.10 g/mol.
Where can I buy Methyl 4-[(4-methylphenyl)sulfanyl]-2-phenyl-5-pyrimidinyl ether?
You can request a quote for Methyl 4-[(4-methylphenyl)sulfanyl]-2-phenyl-5-pyrimidinyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[(4-methylphenyl)sulfanyl]-2-phenyl-5-pyrimidinyl ether?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[(4-methylphenyl)sulfanyl]-2-phenyl-5-pyrimidinyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.