AB00117174-01
TL;DR: AB00117174-01 (CAS 431998-37-7) is a chemical compound with molecular formula C22H20N2O6S and molecular weight 440.10 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)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
Also Known As: AB00117174-01, ethyl [(5E)-2,4-dioxo-5-{4-[2-oxo-2-(phenylamino)ethoxy]benzylidene}-1,3-thiazolidin-3-yl]acetate, (E)-ethyl 2-(2,4-dioxo-5-(4-(2-oxo-2-(phenylamino)ethoxy)benzylidene)thiazolidin-3-yl)acetate, ethyl 2-[(5E)-5-[[4-(2-anilino-2-oxoethoxy)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate, Ethyl 2-[2,4-dioxo-5-[[4-(phenylcarbamoylmethoxy)phenyl]methylidene]-1,3-thiazolidin-3-yl]acetate
| Molecular Formula | C22H20N2O6S |
|---|---|
| Molecular Weight | 440.10 g/mol |
| LogP | 3.3035 |
| Topological Polar Surface Area | 102.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 440.10422 |
| Heavy Atoms | 31 |
| Complexity | 1004.421 |
Chemical Identifiers
| CAS Number | 431998-37-7 |
|---|---|
| SMILES | CCOC(=O)CN1C(=O)/C(=C\C2=CC=C(C=C2)OCC(=O)NC3=CC=CC=C3)/SC1=O |
Product Overview
AB00117174-01 (CAS 431998-37-7), with molecular formula C22H20N2O6S and molecular weight 440.10 g/mol. IUPAC: ethyl 2-[(5E)-5-[[4-(2-anilino-2-oxoethoxy)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate.
Chemical Property Profile of AB00117174-01
Property Insights of AB00117174-01
The XLogP value of 3.3035 indicates that AB00117174-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.01 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00117174-01. Following Lipinski's Rule of Five, AB00117174-01 has 1 hydrogen bond donor(s) and 7 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 AB00117174-01?
The CAS number of AB00117174-01 is 431998-37-7.
What is the molecular formula of AB00117174-01?
The molecular formula of AB00117174-01 is C22H20N2O6S.
What is the molecular weight of AB00117174-01?
The molecular weight of AB00117174-01 is 440.10 g/mol.
Where can I buy AB00117174-01?
You can request a quote for AB00117174-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00117174-01?
Yes, KEHONG BIO provides custom synthesis services for AB00117174-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.