5,5-Bis((((4-carboxyphenyl)methyl)thio)methyl)-2,4-imidazolidinedione
TL;DR: 5,5-Bis((((4-carboxyphenyl)methyl)thio)methyl)-2,4-imidazolidinedione (CAS 142979-84-8) is a chemical compound with molecular formula C21H20N2O6S2 and molecular weight 460.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-[(4-carboxyphenyl)methylsulfanylmethyl]-2,5-dioxoimidazolidin-4-yl]methylsulfanylmethyl]benzoic acid
Also Known As: 5,5di-4NO2BzSMe hydantoin, 5,5di-4CNBzSMe hydantoin, 5,5-Bis((((4-carboxyphenyl)methyl)thio)methyl)-2,4-imidazolidinedione, Benzoic acid,4,4'-[(2,5-dioxo-4-imidazolidinylidene)bis(methylenethiomethylene)]bis- (9CI), 4-[[4-[(4-carboxyphenyl)methylsulfanylmethyl]-2,5-dioxoimidazolidin-4-yl]methylsulfanylmethyl]benzoic acid
| Molecular Formula | C21H20N2O6S2 |
|---|---|
| Molecular Weight | 460.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 460.0763 |
| Heavy Atoms | 31 |
| Complexity | 647.0 |
Chemical Identifiers
| CAS Number | 142979-84-8 |
|---|---|
| SMILES | C1=CC(=CC=C1CSCC2(C(=O)NC(=O)N2)CSCC3=CC=C(C=C3)C(=O)O)C(=O)O |
| InChIKey | CICLKBGCADKABE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,5-Bis((((4-carboxyphenyl)methyl)thio)methyl)-2,4-imidazolidinedione (CAS 142979-84-8), with molecular formula C21H20N2O6S2 and molecular weight 460.08 g/mol. IUPAC: 4-[[4-[(4-carboxyphenyl)methylsulfanylmethyl]-2,5-dioxoimidazolidin-4-yl]methylsulfanylmethyl]benzoic acid.
Chemical Property Profile of 5,5-Bis((((4-carboxyphenyl)methyl)thio)methyl)-2,4-imidazolidinedione
Property Insights of 5,5-Bis((((4-carboxyphenyl)methyl)thio)methyl)-2,4-imidazolidinedione
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5-Bis((((4-carboxyphenyl)methyl)thio)methyl)-2,4-imidazolidinedione. The TPSA of 183.0 Ų indicates high polarity, suggesting 5,5-Bis((((4-carboxyphenyl)methyl)thio)methyl)-2,4-imidazolidinedione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5,5-Bis((((4-carboxyphenyl)methyl)thio)methyl)-2,4-imidazolidinedione has 4 hydrogen bond donor(s) and 8 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 5,5-Bis((((4-carboxyphenyl)methyl)thio)methyl)-2,4-imidazolidinedione?
The CAS number of 5,5-Bis((((4-carboxyphenyl)methyl)thio)methyl)-2,4-imidazolidinedione is 142979-84-8.
What is the molecular formula of 5,5-Bis((((4-carboxyphenyl)methyl)thio)methyl)-2,4-imidazolidinedione?
The molecular formula of 5,5-Bis((((4-carboxyphenyl)methyl)thio)methyl)-2,4-imidazolidinedione is C21H20N2O6S2.
What is the molecular weight of 5,5-Bis((((4-carboxyphenyl)methyl)thio)methyl)-2,4-imidazolidinedione?
The molecular weight of 5,5-Bis((((4-carboxyphenyl)methyl)thio)methyl)-2,4-imidazolidinedione is 460.08 g/mol.
Where can I buy 5,5-Bis((((4-carboxyphenyl)methyl)thio)methyl)-2,4-imidazolidinedione?
You can request a quote for 5,5-Bis((((4-carboxyphenyl)methyl)thio)methyl)-2,4-imidazolidinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5-Bis((((4-carboxyphenyl)methyl)thio)methyl)-2,4-imidazolidinedione?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Bis((((4-carboxyphenyl)methyl)thio)methyl)-2,4-imidazolidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.