A2780/0117624
TL;DR: A2780/0117624 (CAS 369394-18-3) is a chemical compound with molecular formula C21H20ClN3OS and molecular weight 397.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(4-chlorophenyl)methylidene]-2-[4-(2-methylphenyl)piperazin-1-yl]-1,3-thiazol-4-one
Also Known As: A2780/0117624, (5E)-5-(4-chlorobenzylidene)-2-[4-(2-methylphenyl)piperazin-1-yl]-1,3-thiazol-4(5H)-one, (E)-5-(4-chlorobenzylidene)-2-(4-(o-tolyl)piperazin-1-yl)thiazol-4(5H)-one, 5-[(4-chlorophenyl)methylene]-2-[4-(2-methylphenyl)piperazinyl]-1,3-thiazolin- 4-one, (5E)-5-[(4-chlorophenyl)methylidene]-2-[4-(2-methylphenyl)piperazin-1-yl]-1,3-thiazol-4-one
| Molecular Formula | C21H20ClN3OS |
|---|---|
| Molecular Weight | 397.10 g/mol |
| LogP | 4.44092 |
| Topological Polar Surface Area | 35.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 397.10156 |
| Heavy Atoms | 27 |
| Complexity | 915.2789 |
Chemical Identifiers
| CAS Number | 369394-18-3 |
|---|---|
| SMILES | CC1=CC=CC=C1N2CCN(CC2)C3=NC(=O)/C(=C\C4=CC=C(C=C4)Cl)/S3 |
Product Overview
A2780/0117624 (CAS 369394-18-3), with molecular formula C21H20ClN3OS and molecular weight 397.10 g/mol. IUPAC: (5E)-5-[(4-chlorophenyl)methylidene]-2-[4-(2-methylphenyl)piperazin-1-yl]-1,3-thiazol-4-one.
Chemical Property Profile of A2780/0117624
Property Insights of A2780/0117624
The XLogP value of 4.44092 indicates that A2780/0117624 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.91 Ų, A2780/0117624 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A2780/0117624 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 A2780/0117624?
The CAS number of A2780/0117624 is 369394-18-3.
What is the molecular formula of A2780/0117624?
The molecular formula of A2780/0117624 is C21H20ClN3OS.
What is the molecular weight of A2780/0117624?
The molecular weight of A2780/0117624 is 397.10 g/mol.
Where can I buy A2780/0117624?
You can request a quote for A2780/0117624 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2780/0117624?
Yes, KEHONG BIO provides custom synthesis services for A2780/0117624 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.