AE-641/10660011
TL;DR: AE-641/10660011 (CAS 1815597-84-2) is a chemical compound with molecular formula C20H15NO3S2 and molecular weight 381.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
Also Known As: AE-641/10660011, 4-[5-(2-methyl-3-phenyl-2-propenylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid, 4-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid, 4-((Z)-5-((E)-2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzoic acid, 4-{5-[(E)-2-Methyl-3-phenyl-prop-2-en-(Z)-ylidene]-4-oxo-2-thioxo-thiazolidin-3-yl}-benzoic acid
| Molecular Formula | C20H15NO3S2 |
|---|---|
| Molecular Weight | 381.05 g/mol |
| LogP | 4.7369 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 381.04935 |
| Heavy Atoms | 26 |
| Complexity | 931.28845 |
Chemical Identifiers
| CAS Number | 1815597-84-2 |
|---|---|
| SMILES | C/C(=C\C1=CC=CC=C1)/C=C\2/C(=O)N(C(=S)S2)C3=CC=C(C=C3)C(=O)O |
Product Overview
AE-641/10660011 (CAS 1815597-84-2), with molecular formula C20H15NO3S2 and molecular weight 381.05 g/mol. IUPAC: 4-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid.
Chemical Property Profile of AE-641/10660011
Property Insights of AE-641/10660011
The XLogP value of 4.7369 indicates that AE-641/10660011 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.61 Ų, AE-641/10660011 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AE-641/10660011 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-641/10660011?
The CAS number of AE-641/10660011 is 1815597-84-2.
What is the molecular formula of AE-641/10660011?
The molecular formula of AE-641/10660011 is C20H15NO3S2.
What is the molecular weight of AE-641/10660011?
The molecular weight of AE-641/10660011 is 381.05 g/mol.
Where can I buy AE-641/10660011?
You can request a quote for AE-641/10660011 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-641/10660011?
Yes, KEHONG BIO provides custom synthesis services for AE-641/10660011 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.