3,4-Dichlorobenzyl 5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl sulfide
TL;DR: 3,4-Dichlorobenzyl 5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl sulfide (CAS 339101-89-2) is a chemical compound with molecular formula C18H11Cl2F3N2S and molecular weight 414.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,4-dichlorophenyl)methylsulfanyl]-5-[3-(trifluoromethyl)phenyl]pyrimidine
Also Known As: 8J-530S, 3,4-Dichlorobenzyl 5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl sulfide, 2-[(3,4-dichlorophenyl)methylsulfanyl]-5-[3-(trifluoromethyl)phenyl]pyrimidine, 2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-[3-(trifluoromethyl)phenyl]pyrimidine, 2-[(3,4-dichlorobenzyl)sulfanyl]-5-[3-(trifluoromethyl)phenyl]pyrimidine
| Molecular Formula | C18H11Cl2F3N2S |
|---|---|
| Molecular Weight | 414.00 g/mol |
| LogP | 6.7615 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.99722 |
| Heavy Atoms | 26 |
| Complexity | 915.05493 |
Chemical Identifiers
| CAS Number | 339101-89-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C2=CN=C(N=C2)SCC3=CC(=C(C=C3)Cl)Cl |
Product Overview
3,4-Dichlorobenzyl 5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl sulfide (CAS 339101-89-2), with molecular formula C18H11Cl2F3N2S and molecular weight 414.00 g/mol. IUPAC: 2-[(3,4-dichlorophenyl)methylsulfanyl]-5-[3-(trifluoromethyl)phenyl]pyrimidine.
Chemical Property Profile of 3,4-Dichlorobenzyl 5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl sulfide
Property Insights of 3,4-Dichlorobenzyl 5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl sulfide
The XLogP value of 6.7615 indicates that 3,4-Dichlorobenzyl 5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.78 Ų, 3,4-Dichlorobenzyl 5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dichlorobenzyl 5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl sulfide has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,4-Dichlorobenzyl 5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl sulfide?
The CAS number of 3,4-Dichlorobenzyl 5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl sulfide is 339101-89-2.
What is the molecular formula of 3,4-Dichlorobenzyl 5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl sulfide?
The molecular formula of 3,4-Dichlorobenzyl 5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl sulfide is C18H11Cl2F3N2S.
What is the molecular weight of 3,4-Dichlorobenzyl 5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl sulfide?
The molecular weight of 3,4-Dichlorobenzyl 5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl sulfide is 414.00 g/mol.
Where can I buy 3,4-Dichlorobenzyl 5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl sulfide?
You can request a quote for 3,4-Dichlorobenzyl 5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dichlorobenzyl 5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dichlorobenzyl 5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.