J85.926E
TL;DR: J85.926E (CAS 63731-98-6) is a chemical compound with molecular formula C18H22ClN5OS and molecular weight 391.12335 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4-chloro-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-yl]-N-methylbenzamide
Also Known As: 4-Chloro-2-(N-methylbenzoylamino)-6-(4-methylpiperazino)-5-(methylthio)pyrimidine, n-[4-chloro-6-(4-methylpiperazin-1-yl)-5-(methylsulfanyl)pyrimidin-2-yl]-n-methylbenzamide, Benzamide, N-[4-chloro-6-(4-methyl-1-piperazinyl)-5-(methylthio)-2-pyrimidinyl]-N-methyl-, N-[4-chloro-6-(4-methylpiperazin-1-yl)-5-methylsulfanyl-pyrimidin-2-yl]-N-methyl-benzamide, N-[4-chloro-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-yl]-N-methylbenzamide
Technical Specifications
| Molecular Formula | C18H22ClN5OS |
| Molecular Weight | 391.12335 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 77.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.12335 Da |
| Heavy Atoms | 26 |
| Complexity | 470.0 |
| SMILES | CN1CCN(CC1)C2=C(C(=NC(=N2)N(C)C(=O)C3=CC=CC=C3)Cl)SC |
| InChIKey | AUBHNGLUDGIHLK-UHFFFAOYSA-N |
Chemical Property Profile of J85.926E
Property Insights of J85.926E
The XLogP value of 3.3 indicates that J85.926E is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for J85.926E. Following Lipinski's Rule of Five, J85.926E 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
What is the CAS number of J85.926E?
The CAS number of J85.926E is 63731-98-6.
What is the molecular formula of J85.926E?
The molecular formula of J85.926E is C18H22ClN5OS.
What is the molecular weight of J85.926E?
The molecular weight of J85.926E is 391.12335 g/mol.
Where can I buy J85.926E?
You can request a quote for J85.926E directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for J85.926E?
Yes, CoreyChem provides custom synthesis services for J85.926E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.