AE-641/11953076
TL;DR: AE-641/11953076 (CAS 301309-45-5) is a chemical compound with molecular formula C25H17ClN2O3S and molecular weight 460.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-benzyl-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidine-2,4-dione
Also Known As: AE-641/11953076, (5Z)-3-benzyl-5-[1-(2-chlorobenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-1,3-thiazolidine-2,4-dione, (Z)-3-benzyl-5-(1-(2-chlorobenzyl)-2-oxoindolin-3-ylidene)thiazolidine-2,4-dione, 3-benzyl-5-[1-[(2-chlorophenyl)methyl]-2-oxo-indol-3-ylidene]-1,3-thiazolidine-2,4-dione, (5Z)-3-benzyl-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidine-2,4-dione
| Molecular Formula | C25H17ClN2O3S |
|---|---|
| Molecular Weight | 460.06 g/mol |
| LogP | 5.4935 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 460.06485 |
| Heavy Atoms | 32 |
| Complexity | 1289.1093 |
Chemical Identifiers
| CAS Number | 301309-45-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=O)/C(=C/3\C4=CC=CC=C4N(C3=O)CC5=CC=CC=C5Cl)/SC2=O |
Product Overview
AE-641/11953076 (CAS 301309-45-5), with molecular formula C25H17ClN2O3S and molecular weight 460.06 g/mol. IUPAC: (5Z)-3-benzyl-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidine-2,4-dione.
Chemical Property Profile of AE-641/11953076
Property Insights of AE-641/11953076
The XLogP value of 5.4935 indicates that AE-641/11953076 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.69 Ų, AE-641/11953076 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AE-641/11953076 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AE-641/11953076?
The CAS number of AE-641/11953076 is 301309-45-5.
What is the molecular formula of AE-641/11953076?
The molecular formula of AE-641/11953076 is C25H17ClN2O3S.
What is the molecular weight of AE-641/11953076?
The molecular weight of AE-641/11953076 is 460.06 g/mol.
Where can I buy AE-641/11953076?
You can request a quote for AE-641/11953076 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-641/11953076?
Yes, KEHONG BIO provides custom synthesis services for AE-641/11953076 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.