3-Carboxymethyl-5-(p-diethylaminobenzylidene)rhodanine
TL;DR: 3-Carboxymethyl-5-(p-diethylaminobenzylidene)rhodanine (CAS 117648-60-9) is a chemical compound with molecular formula C16H18N2O3S2 and molecular weight 350.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[[4-(diethylamino)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: BAS 00262482, 3-carboxymethyl-5-(p-diethylaminobenzylidene)rhodanine, 5-[[4-(diethylamino)phenyl]methylene]-4-oxo-2-thioxo-3-Thiazolidineacetic acid, 2-[5-[[4-(diethylamino)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
| Molecular Formula | C16H18N2O3S2 |
|---|---|
| Molecular Weight | 350.08 g/mol |
| LogP | 2.8186 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 350.0759 |
| Heavy Atoms | 23 |
| Complexity | 651.7941 |
Chemical Identifiers
| CAS Number | 117648-60-9 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CC(=O)O |
Product Overview
3-Carboxymethyl-5-(p-diethylaminobenzylidene)rhodanine (CAS 117648-60-9), with molecular formula C16H18N2O3S2 and molecular weight 350.08 g/mol. IUPAC: 2-[5-[[4-(diethylamino)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of 3-Carboxymethyl-5-(p-diethylaminobenzylidene)rhodanine
Property Insights of 3-Carboxymethyl-5-(p-diethylaminobenzylidene)rhodanine
The XLogP value of 2.8186 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Carboxymethyl-5-(p-diethylaminobenzylidene)rhodanine. The TPSA of 60.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Carboxymethyl-5-(p-diethylaminobenzylidene)rhodanine. Following Lipinski's Rule of Five, 3-Carboxymethyl-5-(p-diethylaminobenzylidene)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 3-Carboxymethyl-5-(p-diethylaminobenzylidene)rhodanine?
The CAS number of 3-Carboxymethyl-5-(p-diethylaminobenzylidene)rhodanine is 117648-60-9.
What is the molecular formula of 3-Carboxymethyl-5-(p-diethylaminobenzylidene)rhodanine?
The molecular formula of 3-Carboxymethyl-5-(p-diethylaminobenzylidene)rhodanine is C16H18N2O3S2.
What is the molecular weight of 3-Carboxymethyl-5-(p-diethylaminobenzylidene)rhodanine?
The molecular weight of 3-Carboxymethyl-5-(p-diethylaminobenzylidene)rhodanine is 350.08 g/mol.
Where can I buy 3-Carboxymethyl-5-(p-diethylaminobenzylidene)rhodanine?
You can request a quote for 3-Carboxymethyl-5-(p-diethylaminobenzylidene)rhodanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Carboxymethyl-5-(p-diethylaminobenzylidene)rhodanine?
Yes, KEHONG BIO provides custom synthesis services for 3-Carboxymethyl-5-(p-diethylaminobenzylidene)rhodanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.