AB00111683-01
TL;DR: AB00111683-01 (CAS 371144-93-3) is a chemical compound with molecular formula C20H17ClN4O4S and molecular weight 444.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-2-[4-(3-chlorophenyl)piperazin-1-yl]-5-[(4-hydroxy-3-nitrophenyl)methylidene]-1,3-thiazol-4-one
Also Known As: AB00111683-01, (5E)-2-[4-(3-chlorophenyl)piperazin-1-yl]-5-(4-hydroxy-3-nitrobenzylidene)-1,3-thiazol-4(5H)-one, (5E)-2-[4-(3-chlorophenyl)piperazin-1-yl]-5-[(4-hydroxy-3-nitrophenyl)methylidene]-1,3-thiazol-4-one, (E)-2-(4-(3-chlorophenyl)piperazin-1-yl)-5-(4-hydroxy-3-nitrobenzylidene)thiazol-4(5H)-one, 2-[4-(3-chlorophenyl)-1-piperazinyl]-5-(4-hydroxy-3-nitrobenzylidene)-1,3-thiazol-4(5H)-one
| Molecular Formula | C20H17ClN4O4S |
|---|---|
| Molecular Weight | 444.07 g/mol |
| LogP | 3.7463 |
| Topological Polar Surface Area | 99.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 444.06592 |
| Heavy Atoms | 30 |
| Complexity | 1080.2262 |
Chemical Identifiers
| CAS Number | 371144-93-3 |
|---|---|
| SMILES | C1CN(CCN1C2=CC(=CC=C2)Cl)C3=NC(=O)/C(=C\C4=CC(=C(C=C4)O)[N+](=O)[O-])/S3 |
Product Overview
AB00111683-01 (CAS 371144-93-3), with molecular formula C20H17ClN4O4S and molecular weight 444.07 g/mol. IUPAC: (5E)-2-[4-(3-chlorophenyl)piperazin-1-yl]-5-[(4-hydroxy-3-nitrophenyl)methylidene]-1,3-thiazol-4-one.
Chemical Property Profile of AB00111683-01
Property Insights of AB00111683-01
The XLogP value of 3.7463 indicates that AB00111683-01 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 AB00111683-01. Following Lipinski's Rule of Five, AB00111683-01 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 AB00111683-01?
The CAS number of AB00111683-01 is 371144-93-3.
What is the molecular formula of AB00111683-01?
The molecular formula of AB00111683-01 is C20H17ClN4O4S.
What is the molecular weight of AB00111683-01?
The molecular weight of AB00111683-01 is 444.07 g/mol.
Where can I buy AB00111683-01?
You can request a quote for AB00111683-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00111683-01?
Yes, KEHONG BIO provides custom synthesis services for AB00111683-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.