![methyl 2-({5-methoxy-2-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl}sulfanyl)acetate structure](/static/products/861/861209-10-1.png)
methyl 2-({5-methoxy-2-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl}sulfanyl)acetate
TL;DR: methyl 2-({5-methoxy-2-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl}sulfanyl)acetate (CAS 861209-10-1) is a chemical compound with molecular formula C15H13F3N2O3S and molecular weight 358.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[5-methoxy-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]sulfanylacetate
Also Known As: methyl 2-({5-methoxy-2-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl}sulfanyl)acetate, 2R-1514, methyl 2-[5-methoxy-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]sulfanylacetate, Methyl 2-((5-methoxy-2-(3-(trifluoromethyl)phenyl)pyrimidin-4-yl)thio)acetate, methyl 2-({5-methoxy-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl}sulfanyl)acetate
| Molecular Formula | C15H13F3N2O3S |
|---|---|
| Molecular Weight | 358.06 g/mol |
| LogP | 3.4361 |
| Topological Polar Surface Area | 61.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.0599 |
| Heavy Atoms | 24 |
| Complexity | 738.1445 |
Chemical Identifiers
| CAS Number | 861209-10-1 |
|---|---|
| SMILES | COC1=CN=C(N=C1SCC(=O)OC)C2=CC(=CC=C2)C(F)(F)F |
Product Overview
methyl 2-({5-methoxy-2-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl}sulfanyl)acetate (CAS 861209-10-1), with molecular formula C15H13F3N2O3S and molecular weight 358.06 g/mol. IUPAC: methyl 2-[5-methoxy-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]sulfanylacetate.
Chemical Property Profile of methyl 2-({5-methoxy-2-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl}sulfanyl)acetate
Property Insights of methyl 2-({5-methoxy-2-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl}sulfanyl)acetate
The XLogP value of 3.4361 indicates that methyl 2-({5-methoxy-2-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl}sulfanyl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.31 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-({5-methoxy-2-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl}sulfanyl)acetate. Following Lipinski's Rule of Five, methyl 2-({5-methoxy-2-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl}sulfanyl)acetate has 0 hydrogen bond donor(s) and 6 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 2-({5-methoxy-2-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl}sulfanyl)acetate?
The CAS number of methyl 2-({5-methoxy-2-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl}sulfanyl)acetate is 861209-10-1.
What is the molecular formula of methyl 2-({5-methoxy-2-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl}sulfanyl)acetate?
The molecular formula of methyl 2-({5-methoxy-2-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl}sulfanyl)acetate is C15H13F3N2O3S.
What is the molecular weight of methyl 2-({5-methoxy-2-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl}sulfanyl)acetate?
The molecular weight of methyl 2-({5-methoxy-2-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl}sulfanyl)acetate is 358.06 g/mol.
Where can I buy methyl 2-({5-methoxy-2-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl}sulfanyl)acetate?
You can request a quote for methyl 2-({5-methoxy-2-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl}sulfanyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-({5-methoxy-2-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl}sulfanyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-({5-methoxy-2-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl}sulfanyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.