J85.926E
TL;DR: J85.926E (CAS 63731-98-6) is a chemical compound with molecular formula C18H22ClN5OS and molecular weight 391.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C18H22ClN5OS |
|---|---|
| Molecular Weight | 391.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.12335 |
| Heavy Atoms | 26 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 63731-98-6 |
|---|---|
| SMILES | CN1CCN(CC1)C2=C(C(=NC(=N2)N(C)C(=O)C3=CC=CC=C3)Cl)SC |
| InChIKey | AUBHNGLUDGIHLK-UHFFFAOYSA-N |
Product Overview
J85.926E (CAS 63731-98-6), with molecular formula C18H22ClN5OS and molecular weight 391.12 g/mol. IUPAC: N-[4-chloro-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-yl]-N-methylbenzamide.
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
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 391.12 g/mol.
Where can I buy J85.926E?
You can request a quote for J85.926E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J85.926E?
Yes, KEHONG BIO provides custom synthesis services for J85.926E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.