AE-641/12753310
TL;DR: AE-641/12753310 (CAS 302550-51-2) is a chemical compound with molecular formula C18H12ClFN2O2S2 and molecular weight 406.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-methylbenzamide
Also Known As: AE-641/12753310, N-[(5Z)-5-(2-chloro-6-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-2-methylbenzamide, N-[(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-methylbenzamide, (Z)-N-(5-(2-chloro-6-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-2-methylbenzamide, N-[5-(2-chloro-6-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-2-methylbenzamide
| Molecular Formula | C18H12ClFN2O2S2 |
|---|---|
| Molecular Weight | 406.00 g/mol |
| LogP | 4.33372 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 406.00128 |
| Heavy Atoms | 26 |
| Complexity | 941.70734 |
Chemical Identifiers
| CAS Number | 302550-51-2 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)NN2C(=O)/C(=C/C3=C(C=CC=C3Cl)F)/SC2=S |
Product Overview
AE-641/12753310 (CAS 302550-51-2), with molecular formula C18H12ClFN2O2S2 and molecular weight 406.00 g/mol. IUPAC: N-[(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-methylbenzamide.
Chemical Property Profile of AE-641/12753310
Property Insights of AE-641/12753310
The XLogP value of 4.33372 indicates that AE-641/12753310 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, AE-641/12753310 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AE-641/12753310 has 1 hydrogen bond donor(s) and 4 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 AE-641/12753310?
The CAS number of AE-641/12753310 is 302550-51-2.
What is the molecular formula of AE-641/12753310?
The molecular formula of AE-641/12753310 is C18H12ClFN2O2S2.
What is the molecular weight of AE-641/12753310?
The molecular weight of AE-641/12753310 is 406.00 g/mol.
Where can I buy AE-641/12753310?
You can request a quote for AE-641/12753310 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-641/12753310?
Yes, KEHONG BIO provides custom synthesis services for AE-641/12753310 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.