5,5di-4NO2BzSMe hydantoin
TL;DR: 5,5di-4NO2BzSMe hydantoin (CAS 142979-86-0) is a chemical compound with molecular formula C19H18N4O6S2 and molecular weight 462.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-bis[(4-nitrophenyl)methylsulfanylmethyl]imidazolidine-2,4-dione
Also Known As: 5,5di-4NO2BzSMe hydantoin, 5,5-Bis((((4-nitrophenyl)methyl)thio)methyl)-2,4-imidazolidinedione, hydrochloride, 5,5-bis[(4-nitrophenyl)methylsulfanylmethyl]imidazolidine-2,4-dione, 5,5-Bis({[(4-nitrophenyl)methyl]sulfanyl}methyl)imidazolidine-2,4-dione, 5,5-Bis[[[(4-nitrophenyl)methyl]thio]methyl]-2,4-imidazolidinedione
| Molecular Formula | C19H18N4O6S2 |
|---|---|
| Molecular Weight | 462.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 200.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 462.06677 |
| Heavy Atoms | 31 |
| Complexity | 642.0 |
Chemical Identifiers
| CAS Number | 142979-86-0 |
|---|---|
| SMILES | C1=CC(=CC=C1CSCC2(C(=O)NC(=O)N2)CSCC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | FGSYJGZLKDLUQA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,5di-4NO2BzSMe hydantoin (CAS 142979-86-0), with molecular formula C19H18N4O6S2 and molecular weight 462.07 g/mol. IUPAC: 5,5-bis[(4-nitrophenyl)methylsulfanylmethyl]imidazolidine-2,4-dione.
Chemical Property Profile of 5,5di-4NO2BzSMe hydantoin
Property Insights of 5,5di-4NO2BzSMe hydantoin
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5di-4NO2BzSMe hydantoin. The TPSA of 200.0 Ų indicates high polarity, suggesting 5,5di-4NO2BzSMe hydantoin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5,5di-4NO2BzSMe hydantoin has 2 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 5,5di-4NO2BzSMe hydantoin?
The CAS number of 5,5di-4NO2BzSMe hydantoin is 142979-86-0.
What is the molecular formula of 5,5di-4NO2BzSMe hydantoin?
The molecular formula of 5,5di-4NO2BzSMe hydantoin is C19H18N4O6S2.
What is the molecular weight of 5,5di-4NO2BzSMe hydantoin?
The molecular weight of 5,5di-4NO2BzSMe hydantoin is 462.07 g/mol.
Where can I buy 5,5di-4NO2BzSMe hydantoin?
You can request a quote for 5,5di-4NO2BzSMe hydantoin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5di-4NO2BzSMe hydantoin?
Yes, KEHONG BIO provides custom synthesis services for 5,5di-4NO2BzSMe hydantoin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.