5-Propyl-3-benzyl-rhodanin
TL;DR: 5-Propyl-3-benzyl-rhodanin (CAS 24600-36-0) is a chemical compound with molecular formula C20H32N2O6S4 and molecular weight 524.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[6-(5-ethoxycarbonyl-4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidin-3-yl)hexyl]-4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidine-5-carboxylate
Also Known As: 5-Propyl-3-benzyl-rhodanin, 5-Thiazolidinecarboxylic acid, 3,3'-hexamethylenebis(4-hydroxy-4-methyl-2-thioxo-, diethyl ester, diethyl 3,3'-hexane-1,6-diylbis(4-hydroxy-4-methyl-2-thioxo-1,3-thiazolidine-5-carboxylate), ethyl 3-[6-(5-ethoxycarbonyl-4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidin-3-yl)hexyl]-4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidine-5-carboxylate, Diethyl 3,3'-(hexane-1,6-diyl)bis(4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidine-5-carboxylate)
| Molecular Formula | C20H32N2O6S4 |
|---|---|
| Molecular Weight | 524.11 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 214.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 13 |
| Exact Mass | 524.1143 |
| Heavy Atoms | 32 |
| Complexity | 681.0 |
Chemical Identifiers
| CAS Number | 24600-36-0 |
|---|---|
| SMILES | CCOC(=O)C1C(N(C(=S)S1)CCCCCCN2C(=S)SC(C2(C)O)C(=O)OCC)(C)O |
| InChIKey | MFXZNPCOELMKBI-UHFFFAOYSA-N |
Product Overview
5-Propyl-3-benzyl-rhodanin (CAS 24600-36-0), with molecular formula C20H32N2O6S4 and molecular weight 524.11 g/mol. IUPAC: ethyl 3-[6-(5-ethoxycarbonyl-4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidin-3-yl)hexyl]-4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidine-5-carboxylate.
Chemical Property Profile of 5-Propyl-3-benzyl-rhodanin
Property Insights of 5-Propyl-3-benzyl-rhodanin
The XLogP value of 4.4 indicates that 5-Propyl-3-benzyl-rhodanin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 214.0 Ų indicates high polarity, suggesting 5-Propyl-3-benzyl-rhodanin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Propyl-3-benzyl-rhodanin has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Propyl-3-benzyl-rhodanin?
The CAS number of 5-Propyl-3-benzyl-rhodanin is 24600-36-0.
What is the molecular formula of 5-Propyl-3-benzyl-rhodanin?
The molecular formula of 5-Propyl-3-benzyl-rhodanin is C20H32N2O6S4.
What is the molecular weight of 5-Propyl-3-benzyl-rhodanin?
The molecular weight of 5-Propyl-3-benzyl-rhodanin is 524.11 g/mol.
Where can I buy 5-Propyl-3-benzyl-rhodanin?
You can request a quote for 5-Propyl-3-benzyl-rhodanin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Propyl-3-benzyl-rhodanin?
Yes, KEHONG BIO provides custom synthesis services for 5-Propyl-3-benzyl-rhodanin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.