1,3-Bis(4-(4-ethyl-2,3-dioxo-1-piperazinyl)butyl)urea
TL;DR: 1,3-Bis(4-(4-ethyl-2,3-dioxo-1-piperazinyl)butyl)urea (CAS 77439-72-6) is a chemical compound with molecular formula C21H36N6O5 and molecular weight 452.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis[4-(4-ethyl-2,3-dioxopiperazin-1-yl)butyl]urea
Also Known As: 1,3-Bedp-BU, 1,3-bis(4- urea, 1,3-Bis(4-(4-ethyl-2,3-dioxo-1-piperazinyl)butyl)urea, 1,3-bis[4-(4-ethyl-2,3-dioxopiperazin-1-yl)butyl]urea, Urea, N,N'-bis(4-(4-ethyl-2,3-dioxo-1-piperazinyl)butyl)-
| Molecular Formula | C21H36N6O5 |
|---|---|
| Molecular Weight | 452.27 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 452.27472 |
| Heavy Atoms | 32 |
| Complexity | 644.0 |
Chemical Identifiers
| CAS Number | 77439-72-6 |
|---|---|
| SMILES | CCN1CCN(C(=O)C1=O)CCCCNC(=O)NCCCCN2CCN(C(=O)C2=O)CC |
| InChIKey | TULFHXPGSKNDDQ-UHFFFAOYSA-N |
Product Overview
1,3-Bis(4-(4-ethyl-2,3-dioxo-1-piperazinyl)butyl)urea (CAS 77439-72-6), with molecular formula C21H36N6O5 and molecular weight 452.27 g/mol. IUPAC: 1,3-bis[4-(4-ethyl-2,3-dioxopiperazin-1-yl)butyl]urea.
Chemical Property Profile of 1,3-Bis(4-(4-ethyl-2,3-dioxo-1-piperazinyl)butyl)urea
Property Insights of 1,3-Bis(4-(4-ethyl-2,3-dioxo-1-piperazinyl)butyl)urea
The XLogP value of -0.1 indicates that 1,3-Bis(4-(4-ethyl-2,3-dioxo-1-piperazinyl)butyl)urea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Bis(4-(4-ethyl-2,3-dioxo-1-piperazinyl)butyl)urea. Following Lipinski's Rule of Five, 1,3-Bis(4-(4-ethyl-2,3-dioxo-1-piperazinyl)butyl)urea has 2 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 1,3-Bis(4-(4-ethyl-2,3-dioxo-1-piperazinyl)butyl)urea?
The CAS number of 1,3-Bis(4-(4-ethyl-2,3-dioxo-1-piperazinyl)butyl)urea is 77439-72-6.
What is the molecular formula of 1,3-Bis(4-(4-ethyl-2,3-dioxo-1-piperazinyl)butyl)urea?
The molecular formula of 1,3-Bis(4-(4-ethyl-2,3-dioxo-1-piperazinyl)butyl)urea is C21H36N6O5.
What is the molecular weight of 1,3-Bis(4-(4-ethyl-2,3-dioxo-1-piperazinyl)butyl)urea?
The molecular weight of 1,3-Bis(4-(4-ethyl-2,3-dioxo-1-piperazinyl)butyl)urea is 452.27 g/mol.
Where can I buy 1,3-Bis(4-(4-ethyl-2,3-dioxo-1-piperazinyl)butyl)urea?
You can request a quote for 1,3-Bis(4-(4-ethyl-2,3-dioxo-1-piperazinyl)butyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Bis(4-(4-ethyl-2,3-dioxo-1-piperazinyl)butyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis(4-(4-ethyl-2,3-dioxo-1-piperazinyl)butyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.