5,5-Dimethyl-3-(4-nitrobenzyl)imidazolidine-2,4-dione
TL;DR: 5,5-Dimethyl-3-(4-nitrobenzyl)imidazolidine-2,4-dione (CAS 52531-94-9) is a chemical compound with molecular formula C12H13N3O4 and molecular weight 263.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
Also Known As: 5,5-dimethyl-3-(4-nitrobenzyl)imidazolidine-2,4-dione, 5,5-dimethyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione, 2,4-Imidazolidinedione, 5,5-dimethyl-3-[(4-nitrophenyl)methyl]-, 3-(4-nitrobenzyl)-5,5-dimethylimidazolidine-2,4-dione, A3612/0153125
| Molecular Formula | C12H13N3O4 |
|---|---|
| Molecular Weight | 263.09 g/mol |
| LogP | 1.4252 |
| Topological Polar Surface Area | 92.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.0906 |
| Heavy Atoms | 19 |
| Complexity | 550.59784 |
Chemical Identifiers
| CAS Number | 52531-94-9 |
|---|---|
| SMILES | CC1(C(=O)N(C(=O)N1)CC2=CC=C(C=C2)[N+](=O)[O-])C |
Product Overview
5,5-Dimethyl-3-(4-nitrobenzyl)imidazolidine-2,4-dione (CAS 52531-94-9), with molecular formula C12H13N3O4 and molecular weight 263.09 g/mol. IUPAC: 5,5-dimethyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione.
Chemical Property Profile of 5,5-Dimethyl-3-(4-nitrobenzyl)imidazolidine-2,4-dione
Property Insights of 5,5-Dimethyl-3-(4-nitrobenzyl)imidazolidine-2,4-dione
The XLogP value of 1.4252 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5-Dimethyl-3-(4-nitrobenzyl)imidazolidine-2,4-dione. The TPSA of 92.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,5-Dimethyl-3-(4-nitrobenzyl)imidazolidine-2,4-dione. Following Lipinski's Rule of Five, 5,5-Dimethyl-3-(4-nitrobenzyl)imidazolidine-2,4-dione has 1 hydrogen bond donor(s) and 4 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-Dimethyl-3-(4-nitrobenzyl)imidazolidine-2,4-dione?
The CAS number of 5,5-Dimethyl-3-(4-nitrobenzyl)imidazolidine-2,4-dione is 52531-94-9.
What is the molecular formula of 5,5-Dimethyl-3-(4-nitrobenzyl)imidazolidine-2,4-dione?
The molecular formula of 5,5-Dimethyl-3-(4-nitrobenzyl)imidazolidine-2,4-dione is C12H13N3O4.
What is the molecular weight of 5,5-Dimethyl-3-(4-nitrobenzyl)imidazolidine-2,4-dione?
The molecular weight of 5,5-Dimethyl-3-(4-nitrobenzyl)imidazolidine-2,4-dione is 263.09 g/mol.
Where can I buy 5,5-Dimethyl-3-(4-nitrobenzyl)imidazolidine-2,4-dione?
You can request a quote for 5,5-Dimethyl-3-(4-nitrobenzyl)imidazolidine-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5-Dimethyl-3-(4-nitrobenzyl)imidazolidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Dimethyl-3-(4-nitrobenzyl)imidazolidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.