AB00116844-01
TL;DR: AB00116844-01 (CAS 431932-41-1) is a chemical compound with molecular formula C23H22N2O7S and molecular weight 470.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(5E)-5-[[4-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
Also Known As: AB00116844-01, ethyl [(5E)-5-{3-methoxy-4-[2-oxo-2-(phenylamino)ethoxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate, (E)-ethyl 2-(5-(3-methoxy-4-(2-oxo-2-(phenylamino)ethoxy)benzylidene)-2,4-dioxothiazolidin-3-yl)acetate, ethyl 2-[(5E)-5-[[4-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
| Molecular Formula | C23H22N2O7S |
|---|---|
| Molecular Weight | 470.11 g/mol |
| LogP | 3.3121 |
| Topological Polar Surface Area | 111.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 470.11478 |
| Heavy Atoms | 33 |
| Complexity | 1085.4724 |
Chemical Identifiers
| CAS Number | 431932-41-1 |
|---|---|
| SMILES | CCOC(=O)CN1C(=O)/C(=C\C2=CC(=C(C=C2)OCC(=O)NC3=CC=CC=C3)OC)/SC1=O |
Product Overview
AB00116844-01 (CAS 431932-41-1), with molecular formula C23H22N2O7S and molecular weight 470.11 g/mol. IUPAC: ethyl 2-[(5E)-5-[[4-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate.
Chemical Property Profile of AB00116844-01
Property Insights of AB00116844-01
The XLogP value of 3.3121 indicates that AB00116844-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.24 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00116844-01. Following Lipinski's Rule of Five, AB00116844-01 has 1 hydrogen bond donor(s) and 8 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 AB00116844-01?
The CAS number of AB00116844-01 is 431932-41-1.
What is the molecular formula of AB00116844-01?
The molecular formula of AB00116844-01 is C23H22N2O7S.
What is the molecular weight of AB00116844-01?
The molecular weight of AB00116844-01 is 470.11 g/mol.
Where can I buy AB00116844-01?
You can request a quote for AB00116844-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00116844-01?
Yes, KEHONG BIO provides custom synthesis services for AB00116844-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.