Monosubstituted aryl-Me ATX inhibitor 5
TL;DR: Monosubstituted aryl-Me ATX inhibitor 5 (CAS 1347744-91-5) is a chemical compound with molecular formula C15H16ClN3OS and molecular weight 321.07025 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-5-[(4-chlorophenyl)methylidene]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-one
Also Known As: Monosubstituted aryl-Me ATX inhibitor 5, BIM-0038892.P001, J3.024.043J, (5Z)-5-[(4-chlorophenyl)methylidene]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-one, (5Z)-2-(4-Methylpiperazino)-5-(4-chlorobenzylidene)-2-thiazoline-4-one
Technical Specifications
| Molecular Formula | C15H16ClN3OS |
| Molecular Weight | 321.07025 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 61.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.07025 Da |
| Heavy Atoms | 21 |
| Complexity | 464.0 |
| SMILES | CN1CCN(CC1)C2=NC(=O)/C(=C/C3=CC=C(C=C3)Cl)/S2 |
| InChIKey | VVXXHGFEFVWBLH-RAXLEYEMSA-N |
Chemical Property Profile of Monosubstituted aryl-Me ATX inhibitor 5
Property Insights of Monosubstituted aryl-Me ATX inhibitor 5
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Monosubstituted aryl-Me ATX inhibitor 5. The TPSA of 61.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Monosubstituted aryl-Me ATX inhibitor 5. Following Lipinski's Rule of Five, Monosubstituted aryl-Me ATX inhibitor 5 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Monosubstituted aryl-Me ATX inhibitor 5?
The CAS number of Monosubstituted aryl-Me ATX inhibitor 5 is 1347744-91-5.
What is the molecular formula of Monosubstituted aryl-Me ATX inhibitor 5?
The molecular formula of Monosubstituted aryl-Me ATX inhibitor 5 is C15H16ClN3OS.
What is the molecular weight of Monosubstituted aryl-Me ATX inhibitor 5?
The molecular weight of Monosubstituted aryl-Me ATX inhibitor 5 is 321.07025 g/mol.
Where can I buy Monosubstituted aryl-Me ATX inhibitor 5?
You can request a quote for Monosubstituted aryl-Me ATX inhibitor 5 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Monosubstituted aryl-Me ATX inhibitor 5?
Yes, CoreyChem provides custom synthesis services for Monosubstituted aryl-Me ATX inhibitor 5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.