Epalrestat Impurity 9
TL;DR: Epalrestat Impurity 9 (CAS 682775-70-8) is a chemical compound with molecular formula C16H15NO3S2 and molecular weight 333.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate
Also Known As: Epalrestat Impurity 9, Epalrestat Impurity 16, (E,Z)-Epalrestat Methyl Ester, Methyl 2-((Z)-5-((E)-2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate, Methyl 2-(5-(2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate
| Molecular Formula | C16H15NO3S2 |
|---|---|
| Molecular Weight | 333.05 g/mol |
| LogP | 3.0071 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.04935 |
| Heavy Atoms | 22 |
| Complexity | 665.22833 |
Chemical Identifiers
| CAS Number | 682775-70-8 |
|---|---|
| SMILES | C/C(=C\C1=CC=CC=C1)/C=C\2/C(=O)N(C(=S)S2)CC(=O)OC |
Product Overview
Epalrestat Impurity 9 (CAS 682775-70-8), with molecular formula C16H15NO3S2 and molecular weight 333.05 g/mol. IUPAC: methyl 2-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate.
Chemical Property Profile of Epalrestat Impurity 9
Property Insights of Epalrestat Impurity 9
The XLogP value of 3.0071 indicates that Epalrestat Impurity 9 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, Epalrestat Impurity 9 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Epalrestat Impurity 9 has 0 hydrogen bond donor(s) and 5 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 Epalrestat Impurity 9?
The CAS number of Epalrestat Impurity 9 is 682775-70-8.
What is the molecular formula of Epalrestat Impurity 9?
The molecular formula of Epalrestat Impurity 9 is C16H15NO3S2.
What is the molecular weight of Epalrestat Impurity 9?
The molecular weight of Epalrestat Impurity 9 is 333.05 g/mol.
Where can I buy Epalrestat Impurity 9?
You can request a quote for Epalrestat Impurity 9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Epalrestat Impurity 9?
Yes, KEHONG BIO provides custom synthesis services for Epalrestat Impurity 9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.