3E-375S
TL;DR: 3E-375S (CAS 478030-82-9) is a chemical compound with molecular formula C18H11F6N3S and molecular weight 415.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pyridin-2-yl-4-(trifluoromethyl)-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine
Also Known As: 3E-375S, 2-(2-pyridinyl)-4-(trifluoromethyl)-6-{[3-(trifluoromethyl)benzyl]sulfanyl}pyrimidine, 2-pyridin-2-yl-4-(trifluoromethyl)-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine, 2-(pyridin-2-yl)-4-(trifluoromethyl)-6-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)pyrimidine
| Molecular Formula | C18H11F6N3S |
|---|---|
| Molecular Weight | 415.06 g/mol |
| LogP | 5.8685 |
| Topological Polar Surface Area | 38.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.0578 |
| Heavy Atoms | 28 |
| Complexity | 957.525 |
Chemical Identifiers
| CAS Number | 478030-82-9 |
|---|---|
| SMILES | C1=CC=NC(=C1)C2=NC(=CC(=N2)SCC3=CC(=CC=C3)C(F)(F)F)C(F)(F)F |
Product Overview
3E-375S (CAS 478030-82-9), with molecular formula C18H11F6N3S and molecular weight 415.06 g/mol. IUPAC: 2-pyridin-2-yl-4-(trifluoromethyl)-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine.
Chemical Property Profile of 3E-375S
Property Insights of 3E-375S
The XLogP value of 5.8685 indicates that 3E-375S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.67 Ų, 3E-375S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3E-375S 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 3E-375S?
The CAS number of 3E-375S is 478030-82-9.
What is the molecular formula of 3E-375S?
The molecular formula of 3E-375S is C18H11F6N3S.
What is the molecular weight of 3E-375S?
The molecular weight of 3E-375S is 415.06 g/mol.
Where can I buy 3E-375S?
You can request a quote for 3E-375S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3E-375S?
Yes, KEHONG BIO provides custom synthesis services for 3E-375S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.