4,6-Bis(4'-((2''-(dimethylamino)ethyl)thio)phenyl)-5-methylpyrimidine
TL;DR: 4,6-Bis(4'-((2''-(dimethylamino)ethyl)thio)phenyl)-5-methylpyrimidine (CAS 113393-76-3) is a chemical compound with molecular formula C25H32N4S2 and molecular weight 452.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[6-[4-[2-(dimethylamino)ethylsulfanyl]phenyl]-5-methylpyrimidin-4-yl]phenyl]sulfanyl-N,N-dimethylethanamine
Also Known As: 4,6-bis(4-SEtNMe2Ph)-5-Me-Pyr, 4,6-Bis(4'-((2''-(dimethylamino)ethyl)thio)phenyl)-5-methylpyrimidine, 4,6-Bis[4-(2-dimethylaminoethylthio)phenyl]-5-methylpyrimidine, Ethanamine,2,2'-[(5-methyl-4,6-pyrimidinediyl)bis(4,1-phenylenethio)]bis[N,N-dimethyl-,conjugate diacid (9CI), 4,6-Bis[4-[[2-(dimethylamino)ethyl]thio]phenyl]-5-methylpyrimidine
| Molecular Formula | C25H32N4S2 |
|---|---|
| Molecular Weight | 452.21 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 82.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 452.20685 |
| Heavy Atoms | 31 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 113393-76-3 |
|---|---|
| SMILES | CC1=C(N=CN=C1C2=CC=C(C=C2)SCCN(C)C)C3=CC=C(C=C3)SCCN(C)C |
| InChIKey | TWJUYELWUWEQNE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,6-Bis(4'-((2''-(dimethylamino)ethyl)thio)phenyl)-5-methylpyrimidine (CAS 113393-76-3), with molecular formula C25H32N4S2 and molecular weight 452.21 g/mol. IUPAC: 2-[4-[6-[4-[2-(dimethylamino)ethylsulfanyl]phenyl]-5-methylpyrimidin-4-yl]phenyl]sulfanyl-N,N-dimethylethanamine.
Chemical Property Profile of 4,6-Bis(4'-((2''-(dimethylamino)ethyl)thio)phenyl)-5-methylpyrimidine
Property Insights of 4,6-Bis(4'-((2''-(dimethylamino)ethyl)thio)phenyl)-5-methylpyrimidine
The XLogP value of 5.0 indicates that 4,6-Bis(4'-((2''-(dimethylamino)ethyl)thio)phenyl)-5-methylpyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6-Bis(4'-((2''-(dimethylamino)ethyl)thio)phenyl)-5-methylpyrimidine. Following Lipinski's Rule of Five, 4,6-Bis(4'-((2''-(dimethylamino)ethyl)thio)phenyl)-5-methylpyrimidine 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 4,6-Bis(4'-((2''-(dimethylamino)ethyl)thio)phenyl)-5-methylpyrimidine?
The CAS number of 4,6-Bis(4'-((2''-(dimethylamino)ethyl)thio)phenyl)-5-methylpyrimidine is 113393-76-3.
What is the molecular formula of 4,6-Bis(4'-((2''-(dimethylamino)ethyl)thio)phenyl)-5-methylpyrimidine?
The molecular formula of 4,6-Bis(4'-((2''-(dimethylamino)ethyl)thio)phenyl)-5-methylpyrimidine is C25H32N4S2.
What is the molecular weight of 4,6-Bis(4'-((2''-(dimethylamino)ethyl)thio)phenyl)-5-methylpyrimidine?
The molecular weight of 4,6-Bis(4'-((2''-(dimethylamino)ethyl)thio)phenyl)-5-methylpyrimidine is 452.21 g/mol.
Where can I buy 4,6-Bis(4'-((2''-(dimethylamino)ethyl)thio)phenyl)-5-methylpyrimidine?
You can request a quote for 4,6-Bis(4'-((2''-(dimethylamino)ethyl)thio)phenyl)-5-methylpyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Bis(4'-((2''-(dimethylamino)ethyl)thio)phenyl)-5-methylpyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Bis(4'-((2''-(dimethylamino)ethyl)thio)phenyl)-5-methylpyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.