4J-376S
TL;DR: 4J-376S (CAS 338423-49-7) is a chemical compound with molecular formula C16H15F3N2O3S2 and molecular weight 404.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[5-methoxy-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-2-yl]sulfanylacetate
Also Known As: 4J-376S, Ethyl 2-((5-methoxy-4-((3-(trifluoromethyl)phenyl)sulfanyl)-2-pyrimidinyl)sulfanyl)acetate, ethyl 2-[5-methoxy-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-2-yl]sulfanylacetate, ethyl 2-[(5-methoxy-4-{[3-(trifluoromethyl)phenyl]sulfanyl}pyrimidin-2-yl)sulfanyl]acetate, ethyl 2-[(5-methoxy-4-{[3-(trifluoromethyl)phenyl]sulfanyl}-2-pyrimidinyl)sulfanyl]acetate
| Molecular Formula | C16H15F3N2O3S2 |
|---|---|
| Molecular Weight | 404.05 g/mol |
| LogP | 4.3104 |
| Topological Polar Surface Area | 61.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 404.0476 |
| Heavy Atoms | 26 |
| Complexity | 772.64545 |
Chemical Identifiers
| CAS Number | 338423-49-7 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC=C(C(=N1)SC2=CC=CC(=C2)C(F)(F)F)OC |
Product Overview
4J-376S (CAS 338423-49-7), with molecular formula C16H15F3N2O3S2 and molecular weight 404.05 g/mol. IUPAC: ethyl 2-[5-methoxy-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-2-yl]sulfanylacetate.
Chemical Property Profile of 4J-376S
Property Insights of 4J-376S
The XLogP value of 4.3104 indicates that 4J-376S 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 4J-376S. Following Lipinski's Rule of Five, 4J-376S has 0 hydrogen bond donor(s) and 7 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 4J-376S?
The CAS number of 4J-376S is 338423-49-7.
What is the molecular formula of 4J-376S?
The molecular formula of 4J-376S is C16H15F3N2O3S2.
What is the molecular weight of 4J-376S?
The molecular weight of 4J-376S is 404.05 g/mol.
Where can I buy 4J-376S?
You can request a quote for 4J-376S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4J-376S?
Yes, KEHONG BIO provides custom synthesis services for 4J-376S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.