Brn 0588242
TL;DR: Brn 0588242 (CAS 55082-33-2) is a chemical compound with molecular formula C21H34N4O4 and molecular weight 406.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-1-[[4-[(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]-3-methylpiperazin-1-yl]methyl]-3-methylpyrrolidine-2,5-dione
Also Known As: 2-Brom-5-dimethylsulfamoyl-benzoesaeure, 5-23-03-00268 (Beilstein Handbook Reference), N,N'-((2-Methyl-1,4-piperazinediyl)dimethylene)bis(2-ethyl-2-methylsuccinimide), Succinimide, N,N'-((2-methyl-1,4-piperazinediyl)dimethylene)bis(2-ethyl-2-methyl-, 1,1'-[(2-methylpiperazine-1,4-diyl)dimethanediyl]bis(3-ethyl-3-methylpyrrolidine-2,5-dione)
| Molecular Formula | C21H34N4O4 |
|---|---|
| Molecular Weight | 406.26 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 81.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.258 |
| Heavy Atoms | 29 |
| Complexity | 725.0 |
Chemical Identifiers
| CAS Number | 55082-33-2 |
|---|---|
| SMILES | CCC1(CC(=O)N(C1=O)CN2CCN(C(C2)C)CN3C(=O)CC(C3=O)(C)CC)C |
| InChIKey | QAKWHQCYOPJDHY-UHFFFAOYSA-N |
Product Overview
Brn 0588242 (CAS 55082-33-2), with molecular formula C21H34N4O4 and molecular weight 406.26 g/mol. IUPAC: 3-ethyl-1-[[4-[(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]-3-methylpiperazin-1-yl]methyl]-3-methylpyrrolidine-2,5-dione.
Chemical Property Profile of Brn 0588242
Property Insights of Brn 0588242
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Brn 0588242. The TPSA of 81.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Brn 0588242. Following Lipinski's Rule of Five, Brn 0588242 has 0 hydrogen bond donor(s) and 6 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 Brn 0588242?
The CAS number of Brn 0588242 is 55082-33-2.
What is the molecular formula of Brn 0588242?
The molecular formula of Brn 0588242 is C21H34N4O4.
What is the molecular weight of Brn 0588242?
The molecular weight of Brn 0588242 is 406.26 g/mol.
Where can I buy Brn 0588242?
You can request a quote for Brn 0588242 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Brn 0588242?
Yes, KEHONG BIO provides custom synthesis services for Brn 0588242 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.