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4-[(3-Chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinyl methyl ether
TL;DR: 4-[(3-Chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinyl methyl ether (CAS 477872-58-5) is a chemical compound with molecular formula C17H13ClN2OS and molecular weight 328.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chlorophenyl)sulfanyl-5-methoxy-2-phenylpyrimidine
Also Known As: 4-(3-chlorophenyl)sulfanyl-5-methoxy-2-phenylpyrimidine, 4-[(3-chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinyl methyl ether, 4-[(3-chlorophenyl)sulfanyl]-5-methoxy-2-phenylpyrimidine, 1R-1185
| Molecular Formula | C17H13ClN2OS |
|---|---|
| Molecular Weight | 328.04 g/mol |
| LogP | 4.9568 |
| Topological Polar Surface Area | 35.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.0437 |
| Heavy Atoms | 22 |
| Complexity | 780.62256 |
Chemical Identifiers
| CAS Number | 477872-58-5 |
|---|---|
| SMILES | COC1=CN=C(N=C1SC2=CC(=CC=C2)Cl)C3=CC=CC=C3 |
Product Overview
4-[(3-Chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinyl methyl ether (CAS 477872-58-5), with molecular formula C17H13ClN2OS and molecular weight 328.04 g/mol. IUPAC: 4-(3-chlorophenyl)sulfanyl-5-methoxy-2-phenylpyrimidine.
Chemical Property Profile of 4-[(3-Chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinyl methyl ether
Property Insights of 4-[(3-Chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinyl methyl ether
The XLogP value of 4.9568 indicates that 4-[(3-Chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinyl methyl 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, 4-[(3-Chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinyl methyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(3-Chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinyl methyl 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 4-[(3-Chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinyl methyl ether?
The CAS number of 4-[(3-Chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinyl methyl ether is 477872-58-5.
What is the molecular formula of 4-[(3-Chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinyl methyl ether?
The molecular formula of 4-[(3-Chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinyl methyl ether is C17H13ClN2OS.
What is the molecular weight of 4-[(3-Chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinyl methyl ether?
The molecular weight of 4-[(3-Chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinyl methyl ether is 328.04 g/mol.
Where can I buy 4-[(3-Chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinyl methyl ether?
You can request a quote for 4-[(3-Chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinyl methyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(3-Chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinyl methyl ether?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3-Chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinyl methyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.