Monosubstituted aryl-Me ATX inhibitor 8
TL;DR: Monosubstituted aryl-Me ATX inhibitor 8 (CAS 1347744-90-4) is a chemical compound with molecular formula C16H19N3OS and molecular weight 301.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(4-methylphenyl)methylidene]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-one
Also Known As: Monosubstituted aryl-Me ATX inhibitor 8, BIM-0034094.P001, AB00097772-01, (5Z)-5-(4-methylbenzylidene)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4(5H)-one, (5Z)-5-[(4-methylphenyl)methylidene]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-one
| Molecular Formula | C16H19N3OS |
|---|---|
| Molecular Weight | 301.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 61.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.12488 |
| Heavy Atoms | 21 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 1347744-90-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C=C\2/C(=O)N=C(S2)N3CCN(CC3)C |
| InChIKey | GJRZEJOBVATPBF-KAMYIIQDSA-N |
Product Overview
Monosubstituted aryl-Me ATX inhibitor 8 (CAS 1347744-90-4), with molecular formula C16H19N3OS and molecular weight 301.12 g/mol. IUPAC: (5Z)-5-[(4-methylphenyl)methylidene]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-one.
Chemical Property Profile of Monosubstituted aryl-Me ATX inhibitor 8
Property Insights of Monosubstituted aryl-Me ATX inhibitor 8
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Monosubstituted aryl-Me ATX inhibitor 8. The TPSA of 61.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Monosubstituted aryl-Me ATX inhibitor 8. Following Lipinski's Rule of Five, Monosubstituted aryl-Me ATX inhibitor 8 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
Frequently Asked Questions
What is the CAS number of Monosubstituted aryl-Me ATX inhibitor 8?
The CAS number of Monosubstituted aryl-Me ATX inhibitor 8 is 1347744-90-4.
What is the molecular formula of Monosubstituted aryl-Me ATX inhibitor 8?
The molecular formula of Monosubstituted aryl-Me ATX inhibitor 8 is C16H19N3OS.
What is the molecular weight of Monosubstituted aryl-Me ATX inhibitor 8?
The molecular weight of Monosubstituted aryl-Me ATX inhibitor 8 is 301.12 g/mol.
Where can I buy Monosubstituted aryl-Me ATX inhibitor 8?
You can request a quote for Monosubstituted aryl-Me ATX inhibitor 8 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 8?
Yes, KEHONG BIO provides custom synthesis services for Monosubstituted aryl-Me ATX inhibitor 8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.