N,N''-(1,4-Piperazinediyldi-3,1-propanediyl)dibutylurea
TL;DR: N,N''-(1,4-Piperazinediyldi-3,1-propanediyl)dibutylurea (CAS 73840-15-0) is a chemical compound with molecular formula C20H42N6O2 and molecular weight 398.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-3-[3-[4-[3-(butylcarbamoylamino)propyl]piperazin-1-yl]propyl]urea
Also Known As: Piperazine, 1,4-bis(3-(3-butylureido)propyl)-, Urea, 1,1'-(1,4-piperazinediylbis(trimethylene))bis(3-butyl-, Piperazine,4-bis[3-(3-butylureido)propyl]-, N,N''-(1,4-Piperazinediyldi-3,1-propanediyl)dibutylurea, 1,1'-(piperazine-1,4-diyldipropane-3,1-diyl)bis(3-butylurea)
| Molecular Formula | C20H42N6O2 |
|---|---|
| Molecular Weight | 398.34 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 88.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 398.3369 |
| Heavy Atoms | 28 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 73840-15-0 |
|---|---|
| SMILES | CCCCNC(=O)NCCCN1CCN(CC1)CCCNC(=O)NCCCC |
| InChIKey | CWZHWSSWOUKCPV-UHFFFAOYSA-N |
Product Overview
N,N''-(1,4-Piperazinediyldi-3,1-propanediyl)dibutylurea (CAS 73840-15-0), with molecular formula C20H42N6O2 and molecular weight 398.34 g/mol. IUPAC: 1-butyl-3-[3-[4-[3-(butylcarbamoylamino)propyl]piperazin-1-yl]propyl]urea.
Chemical Property Profile of N,N''-(1,4-Piperazinediyldi-3,1-propanediyl)dibutylurea
Property Insights of N,N''-(1,4-Piperazinediyldi-3,1-propanediyl)dibutylurea
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N''-(1,4-Piperazinediyldi-3,1-propanediyl)dibutylurea. The TPSA of 88.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N''-(1,4-Piperazinediyldi-3,1-propanediyl)dibutylurea. Following Lipinski's Rule of Five, N,N''-(1,4-Piperazinediyldi-3,1-propanediyl)dibutylurea has 4 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 N,N''-(1,4-Piperazinediyldi-3,1-propanediyl)dibutylurea?
The CAS number of N,N''-(1,4-Piperazinediyldi-3,1-propanediyl)dibutylurea is 73840-15-0.
What is the molecular formula of N,N''-(1,4-Piperazinediyldi-3,1-propanediyl)dibutylurea?
The molecular formula of N,N''-(1,4-Piperazinediyldi-3,1-propanediyl)dibutylurea is C20H42N6O2.
What is the molecular weight of N,N''-(1,4-Piperazinediyldi-3,1-propanediyl)dibutylurea?
The molecular weight of N,N''-(1,4-Piperazinediyldi-3,1-propanediyl)dibutylurea is 398.34 g/mol.
Where can I buy N,N''-(1,4-Piperazinediyldi-3,1-propanediyl)dibutylurea?
You can request a quote for N,N''-(1,4-Piperazinediyldi-3,1-propanediyl)dibutylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N''-(1,4-Piperazinediyldi-3,1-propanediyl)dibutylurea?
Yes, KEHONG BIO provides custom synthesis services for N,N''-(1,4-Piperazinediyldi-3,1-propanediyl)dibutylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.