AB00122652-01
TL;DR: AB00122652-01 (CAS 401581-03-1) is a chemical compound with molecular formula C20H12N2O4S2 and molecular weight 408.02 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]-3-naphthalen-1-yl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: AB00122652-01, (5E)-5-(4-hydroxy-3-nitrobenzylidene)-3-(naphthalen-1-yl)-2-thioxo-1,3-thiazolidin-4-one, (5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-3-naphthalen-1-yl-2-sulfanylidene-1,3-thiazolidin-4-one, 5-[(4-hydroxy-3-nitrophenyl)methylene]-3-naphthyl-2-thioxo-1,3-thiazolidin-4-o ne, 5-[(4-hydroxy-3-nitro-phenyl)methylidene]-3-naphthalen-1-yl-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C20H12N2O4S2 |
|---|---|
| Molecular Weight | 408.02 g/mol |
| LogP | 4.8594 |
| Topological Polar Surface Area | 83.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 408.02383 |
| Heavy Atoms | 28 |
| Complexity | 1184.5442 |
Chemical Identifiers
| CAS Number | 401581-03-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2N3C(=O)/C(=C\C4=CC(=C(C=C4)O)[N+](=O)[O-])/SC3=S |
Product Overview
AB00122652-01 (CAS 401581-03-1), with molecular formula C20H12N2O4S2 and molecular weight 408.02 g/mol. IUPAC: (5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-3-naphthalen-1-yl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of AB00122652-01
Property Insights of AB00122652-01
The XLogP value of 4.8594 indicates that AB00122652-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.68 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00122652-01. Following Lipinski's Rule of Five, AB00122652-01 has 1 hydrogen bond donor(s) and 6 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 AB00122652-01?
The CAS number of AB00122652-01 is 401581-03-1.
What is the molecular formula of AB00122652-01?
The molecular formula of AB00122652-01 is C20H12N2O4S2.
What is the molecular weight of AB00122652-01?
The molecular weight of AB00122652-01 is 408.02 g/mol.
Where can I buy AB00122652-01?
You can request a quote for AB00122652-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00122652-01?
Yes, KEHONG BIO provides custom synthesis services for AB00122652-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.