AB00118864-01
TL;DR: AB00118864-01 (CAS 431979-86-1) is a chemical compound with molecular formula C17H11BrN2O5S and molecular weight 433.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-3-[(3-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione
Also Known As: AB00118864-01, (5E)-5-(3-bromo-4-hydroxybenzylidene)-3-(3-nitrobenzyl)-1,3-thiazolidine-2,4-dione, (5E)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-3-[(3-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione
| Molecular Formula | C17H11BrN2O5S |
|---|---|
| Molecular Weight | 433.96 g/mol |
| LogP | 4.2994 |
| Topological Polar Surface Area | 100.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 433.9572 |
| Heavy Atoms | 26 |
| Complexity | 959.91943 |
Chemical Identifiers
| CAS Number | 431979-86-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])CN2C(=O)/C(=C\C3=CC(=C(C=C3)O)Br)/SC2=O |
Product Overview
AB00118864-01 (CAS 431979-86-1), with molecular formula C17H11BrN2O5S and molecular weight 433.96 g/mol. IUPAC: (5E)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-3-[(3-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione.
Chemical Property Profile of AB00118864-01
Property Insights of AB00118864-01
The XLogP value of 4.2994 indicates that AB00118864-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.75 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00118864-01. Following Lipinski's Rule of Five, AB00118864-01 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 AB00118864-01?
The CAS number of AB00118864-01 is 431979-86-1.
What is the molecular formula of AB00118864-01?
The molecular formula of AB00118864-01 is C17H11BrN2O5S.
What is the molecular weight of AB00118864-01?
The molecular weight of AB00118864-01 is 433.96 g/mol.
Where can I buy AB00118864-01?
You can request a quote for AB00118864-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00118864-01?
Yes, KEHONG BIO provides custom synthesis services for AB00118864-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.