AB00111350-01
TL;DR: AB00111350-01 (CAS 428856-94-4) 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 4-[[2-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]amino]benzoate
Also Known As: AB00111350-01, ethyl 4-({[(5Z)-5-(3,4-dimethoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl}amino)benzoate, (Z)-ethyl 4-(2-(5-(3,4-dimethoxybenzylidene)-2,4-dioxothiazolidin-3-yl)acetamido)benzoate, ethyl 4-[[2-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]amino]benzoate
| Molecular Formula | C23H22N2O7S |
|---|---|
| Molecular Weight | 470.11 g/mol |
| LogP | 3.5555 |
| Topological Polar Surface Area | 111.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 470.11478 |
| Heavy Atoms | 33 |
| Complexity | 1112.2931 |
Chemical Identifiers
| CAS Number | 428856-94-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C/C3=CC(=C(C=C3)OC)OC)/SC2=O |
Product Overview
AB00111350-01 (CAS 428856-94-4), with molecular formula C23H22N2O7S and molecular weight 470.11 g/mol. IUPAC: ethyl 4-[[2-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]amino]benzoate.
Chemical Property Profile of AB00111350-01
Property Insights of AB00111350-01
The XLogP value of 3.5555 indicates that AB00111350-01 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 AB00111350-01. Following Lipinski's Rule of Five, AB00111350-01 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 AB00111350-01?
The CAS number of AB00111350-01 is 428856-94-4.
What is the molecular formula of AB00111350-01?
The molecular formula of AB00111350-01 is C23H22N2O7S.
What is the molecular weight of AB00111350-01?
The molecular weight of AB00111350-01 is 470.11 g/mol.
Where can I buy AB00111350-01?
You can request a quote for AB00111350-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00111350-01?
Yes, KEHONG BIO provides custom synthesis services for AB00111350-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.