AB00111423-01
TL;DR: AB00111423-01 (CAS 428858-46-2) is a chemical compound with molecular formula C21H20N4O4S and molecular weight 424.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-[4-(4-methylphenyl)piperazin-1-yl]-1,3-thiazol-4-one
Also Known As: AB00111423-01, (E)-5-(4-hydroxy-3-nitrobenzylidene)-2-(4-(p-tolyl)piperazin-1-yl)thiazol-4(5H)-one, F3044-0128, (5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-[4-(4-methylphenyl)piperazin-1-yl]-4,5-dihydro-1,3-thiazol-4-one, (5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-[4-(4-methylphenyl)piperazin-1-yl]-1,3-thiazol-4-one
| Molecular Formula | C21H20N4O4S |
|---|---|
| Molecular Weight | 424.12 g/mol |
| LogP | 3.40132 |
| Topological Polar Surface Area | 99.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 424.1205 |
| Heavy Atoms | 30 |
| Complexity | 1057.1761 |
Chemical Identifiers
| CAS Number | 428858-46-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2CCN(CC2)C3=NC(=O)/C(=C\C4=CC(=C(C=C4)O)[N+](=O)[O-])/S3 |
Product Overview
AB00111423-01 (CAS 428858-46-2), with molecular formula C21H20N4O4S and molecular weight 424.12 g/mol. IUPAC: (5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-[4-(4-methylphenyl)piperazin-1-yl]-1,3-thiazol-4-one.
Chemical Property Profile of AB00111423-01
Property Insights of AB00111423-01
The XLogP value of 3.40132 indicates that AB00111423-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.28 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00111423-01. Following Lipinski's Rule of Five, AB00111423-01 has 1 hydrogen bond donor(s) and 7 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 AB00111423-01?
The CAS number of AB00111423-01 is 428858-46-2.
What is the molecular formula of AB00111423-01?
The molecular formula of AB00111423-01 is C21H20N4O4S.
What is the molecular weight of AB00111423-01?
The molecular weight of AB00111423-01 is 424.12 g/mol.
Where can I buy AB00111423-01?
You can request a quote for AB00111423-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00111423-01?
Yes, KEHONG BIO provides custom synthesis services for AB00111423-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.