AB00116948-01
TL;DR: AB00116948-01 (CAS 431929-65-6) is a chemical compound with molecular formula C20H17N3O5S and molecular weight 411.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dimethylphenyl)-2-[(5E)-5-[(4-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
Also Known As: AB00116948-01, N-(3,4-dimethylphenyl)-2-[(5E)-5-(4-nitrobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide, N-(3,4-dimethylphenyl)-2-[(5E)-5-[(4-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide, N-(3,4-dimethylphenyl)-2-{5-[(4-nitrophenyl)methylene]-2,4-dioxo(1,3-thiazolid in-3-yl)}acetamide
| Molecular Formula | C20H17N3O5S |
|---|---|
| Molecular Weight | 411.09 g/mol |
| LogP | 3.88664 |
| Topological Polar Surface Area | 109.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.0889 |
| Heavy Atoms | 29 |
| Complexity | 1046.5823 |
Chemical Identifiers
| CAS Number | 431929-65-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CN2C(=O)/C(=C\C3=CC=C(C=C3)[N+](=O)[O-])/SC2=O)C |
Product Overview
AB00116948-01 (CAS 431929-65-6), with molecular formula C20H17N3O5S and molecular weight 411.09 g/mol. IUPAC: N-(3,4-dimethylphenyl)-2-[(5E)-5-[(4-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide.
Chemical Property Profile of AB00116948-01
Property Insights of AB00116948-01
The XLogP value of 3.88664 indicates that AB00116948-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.62 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00116948-01. Following Lipinski's Rule of Five, AB00116948-01 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 AB00116948-01?
The CAS number of AB00116948-01 is 431929-65-6.
What is the molecular formula of AB00116948-01?
The molecular formula of AB00116948-01 is C20H17N3O5S.
What is the molecular weight of AB00116948-01?
The molecular weight of AB00116948-01 is 411.09 g/mol.
Where can I buy AB00116948-01?
You can request a quote for AB00116948-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00116948-01?
Yes, KEHONG BIO provides custom synthesis services for AB00116948-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.