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Methyl 4-(phenylsulfanyl)-2-[3-(trifluoromethyl)phenyl]-5-pyrimidinyl ether
TL;DR: Methyl 4-(phenylsulfanyl)-2-[3-(trifluoromethyl)phenyl]-5-pyrimidinyl ether (CAS 478030-30-7) is a chemical compound with molecular formula C18H13F3N2OS and molecular weight 362.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxy-4-phenylsulfanyl-2-[3-(trifluoromethyl)phenyl]pyrimidine
Also Known As: Bionet1_004067, DivK1c_002563, CDS1_001523, 2R-1515, 5-methoxy-4-phenylsulfanyl-2-[3-(trifluoromethyl)phenyl]pyrimidine
| Molecular Formula | C18H13F3N2OS |
|---|---|
| Molecular Weight | 362.07 g/mol |
| LogP | 5.3222 |
| Topological Polar Surface Area | 35.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.07007 |
| Heavy Atoms | 25 |
| Complexity | 869.6952 |
Chemical Identifiers
| CAS Number | 478030-30-7 |
|---|---|
| SMILES | COC1=CN=C(N=C1SC2=CC=CC=C2)C3=CC(=CC=C3)C(F)(F)F |
Product Overview
Methyl 4-(phenylsulfanyl)-2-[3-(trifluoromethyl)phenyl]-5-pyrimidinyl ether (CAS 478030-30-7), with molecular formula C18H13F3N2OS and molecular weight 362.07 g/mol. IUPAC: 5-methoxy-4-phenylsulfanyl-2-[3-(trifluoromethyl)phenyl]pyrimidine.
Chemical Property Profile of Methyl 4-(phenylsulfanyl)-2-[3-(trifluoromethyl)phenyl]-5-pyrimidinyl ether
Property Insights of Methyl 4-(phenylsulfanyl)-2-[3-(trifluoromethyl)phenyl]-5-pyrimidinyl ether
The XLogP value of 5.3222 indicates that Methyl 4-(phenylsulfanyl)-2-[3-(trifluoromethyl)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-(phenylsulfanyl)-2-[3-(trifluoromethyl)phenyl]-5-pyrimidinyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(phenylsulfanyl)-2-[3-(trifluoromethyl)phenyl]-5-pyrimidinyl ether has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 4-(phenylsulfanyl)-2-[3-(trifluoromethyl)phenyl]-5-pyrimidinyl ether?
The CAS number of Methyl 4-(phenylsulfanyl)-2-[3-(trifluoromethyl)phenyl]-5-pyrimidinyl ether is 478030-30-7.
What is the molecular formula of Methyl 4-(phenylsulfanyl)-2-[3-(trifluoromethyl)phenyl]-5-pyrimidinyl ether?
The molecular formula of Methyl 4-(phenylsulfanyl)-2-[3-(trifluoromethyl)phenyl]-5-pyrimidinyl ether is C18H13F3N2OS.
What is the molecular weight of Methyl 4-(phenylsulfanyl)-2-[3-(trifluoromethyl)phenyl]-5-pyrimidinyl ether?
The molecular weight of Methyl 4-(phenylsulfanyl)-2-[3-(trifluoromethyl)phenyl]-5-pyrimidinyl ether is 362.07 g/mol.
Where can I buy Methyl 4-(phenylsulfanyl)-2-[3-(trifluoromethyl)phenyl]-5-pyrimidinyl ether?
You can request a quote for Methyl 4-(phenylsulfanyl)-2-[3-(trifluoromethyl)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-(phenylsulfanyl)-2-[3-(trifluoromethyl)phenyl]-5-pyrimidinyl ether?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(phenylsulfanyl)-2-[3-(trifluoromethyl)phenyl]-5-pyrimidinyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.