AE-641/12845256
TL;DR: AE-641/12845256 (CAS 306324-16-3) is a chemical compound with molecular formula C20H17NO5S2 and molecular weight 415.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanoic acid
Also Known As: AE-641/12845256, 2-[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanoic acid, (Z)-2-(5-(4-hydroxy-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-phenylpropanoic acid, 2-[(5Z)-5-(4-hydroxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-3-phenylpropanoic acid, 2-{5-[1-(4-Hydroxy-3-methoxy-phenyl)-meth-(Z)-ylidene]-4-oxo-2-thioxo-thiazolidin-3-yl}-3-phenyl-propio nic acid
| Molecular Formula | C20H17NO5S2 |
|---|---|
| Molecular Weight | 415.05 g/mol |
| LogP | 3.2979 |
| Topological Polar Surface Area | 87.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.0548 |
| Heavy Atoms | 28 |
| Complexity | 958.32336 |
Chemical Identifiers
| CAS Number | 306324-16-3 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)C(CC3=CC=CC=C3)C(=O)O)O |
Product Overview
AE-641/12845256 (CAS 306324-16-3), with molecular formula C20H17NO5S2 and molecular weight 415.05 g/mol. IUPAC: 2-[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanoic acid.
Chemical Property Profile of AE-641/12845256
Property Insights of AE-641/12845256
The XLogP value of 3.2979 indicates that AE-641/12845256 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.07 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-641/12845256. Following Lipinski's Rule of Five, AE-641/12845256 has 2 hydrogen bond donor(s) and 6 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-641/12845256?
The CAS number of AE-641/12845256 is 306324-16-3.
What is the molecular formula of AE-641/12845256?
The molecular formula of AE-641/12845256 is C20H17NO5S2.
What is the molecular weight of AE-641/12845256?
The molecular weight of AE-641/12845256 is 415.05 g/mol.
Where can I buy AE-641/12845256?
You can request a quote for AE-641/12845256 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-641/12845256?
Yes, KEHONG BIO provides custom synthesis services for AE-641/12845256 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.