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 321.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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, A1853/0078035, (5Z)-5-[(4-chlorophenyl)methylidene]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-one
| Molecular Formula | C15H16ClN3OS |
|---|---|
| Molecular Weight | 321.07 g/mol |
| LogP | 2.5577 |
| Topological Polar Surface Area | 35.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 321.07025 |
| Heavy Atoms | 21 |
| Complexity | 603.8497 |
Chemical Identifiers
| CAS Number | 1347744-91-5 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NC(=O)/C(=C/C3=CC=C(C=C3)Cl)/S2 |
Product Overview
Monosubstituted aryl-Me ATX inhibitor 5 (CAS 1347744-91-5), with molecular formula C15H16ClN3OS and molecular weight 321.07 g/mol. IUPAC: (5Z)-5-[(4-chlorophenyl)methylidene]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-one.
Chemical Property Profile of Monosubstituted aryl-Me ATX inhibitor 5
Property Insights of Monosubstituted aryl-Me ATX inhibitor 5
The XLogP value of 2.5577 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Monosubstituted aryl-Me ATX inhibitor 5. With a topological polar surface area (TPSA) of 35.91 Ų, Monosubstituted aryl-Me ATX inhibitor 5 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Monosubstituted aryl-Me ATX inhibitor 5 has 0 hydrogen bond donor(s) and 4 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 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 321.07 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Monosubstituted aryl-Me ATX inhibitor 5?
Yes, KEHONG BIO 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.