5-(3,4-Diethoxybenzylidene)rhodanine
TL;DR: 5-(3,4-Diethoxybenzylidene)rhodanine (CAS 97852-70-5) is a chemical compound with molecular formula C14H15NO3S2 and molecular weight 309.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3,4-diethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 5-(3,4-diethoxybenzylidene)rhodanine, BAS 00478427, 5-(3,4-diethoxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one, 5-[(3,4-diethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, (5E)-5-(3,4-DIETHOXYBENZYLIDENE)-2-MERCAPTO-1,3-THIAZOL-4(5H)-ONE
| Molecular Formula | C14H15NO3S2 |
|---|---|
| Molecular Weight | 309.05 g/mol |
| LogP | 2.9728 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 309.04935 |
| Heavy Atoms | 20 |
| Complexity | 569.5375 |
Chemical Identifiers
| CAS Number | 97852-70-5 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C=C2C(=O)NC(=S)S2)OCC |
Product Overview
5-(3,4-Diethoxybenzylidene)rhodanine (CAS 97852-70-5), with molecular formula C14H15NO3S2 and molecular weight 309.05 g/mol. IUPAC: 5-[(3,4-diethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 5-(3,4-Diethoxybenzylidene)rhodanine
Property Insights of 5-(3,4-Diethoxybenzylidene)rhodanine
The XLogP value of 2.9728 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3,4-Diethoxybenzylidene)rhodanine. With a topological polar surface area (TPSA) of 47.56 Ų, 5-(3,4-Diethoxybenzylidene)rhodanine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3,4-Diethoxybenzylidene)rhodanine has 1 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 5-(3,4-Diethoxybenzylidene)rhodanine?
The CAS number of 5-(3,4-Diethoxybenzylidene)rhodanine is 97852-70-5.
What is the molecular formula of 5-(3,4-Diethoxybenzylidene)rhodanine?
The molecular formula of 5-(3,4-Diethoxybenzylidene)rhodanine is C14H15NO3S2.
What is the molecular weight of 5-(3,4-Diethoxybenzylidene)rhodanine?
The molecular weight of 5-(3,4-Diethoxybenzylidene)rhodanine is 309.05 g/mol.
Where can I buy 5-(3,4-Diethoxybenzylidene)rhodanine?
You can request a quote for 5-(3,4-Diethoxybenzylidene)rhodanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3,4-Diethoxybenzylidene)rhodanine?
Yes, KEHONG BIO provides custom synthesis services for 5-(3,4-Diethoxybenzylidene)rhodanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.