1-Butyl-4-(2-isocyanoethyl)piperazine
TL;DR: 1-Butyl-4-(2-isocyanoethyl)piperazine (CAS 832113-83-4) is a chemical compound with molecular formula C11H21N3 and molecular weight 195.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-4-(2-isocyanoethyl)piperazine
Also Known As: Boc-Lys(Boc)-OSu, 1-butyl-4-(2-isocyanoethyl)piperazine, 1-Butyl-4-(2-isocyano-ethyl)-piperazine
| Molecular Formula | C11H21N3 |
|---|---|
| Molecular Weight | 195.17 g/mol |
| LogP | 1.32339 |
| Topological Polar Surface Area | 10.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 195.17355 |
| Heavy Atoms | 14 |
| Complexity | 177.46188 |
Chemical Identifiers
| CAS Number | 832113-83-4 |
|---|---|
| SMILES | CCCCN1CCN(CC1)CC[N+]#[C-] |
Product Overview
1-Butyl-4-(2-isocyanoethyl)piperazine (CAS 832113-83-4), with molecular formula C11H21N3 and molecular weight 195.17 g/mol. IUPAC: 1-butyl-4-(2-isocyanoethyl)piperazine.
Chemical Property Profile of 1-Butyl-4-(2-isocyanoethyl)piperazine
Property Insights of 1-Butyl-4-(2-isocyanoethyl)piperazine
The XLogP value of 1.32339 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butyl-4-(2-isocyanoethyl)piperazine. With a topological polar surface area (TPSA) of 10.84 Ų, 1-Butyl-4-(2-isocyanoethyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butyl-4-(2-isocyanoethyl)piperazine has 0 hydrogen bond donor(s) and 2 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-Butyl-4-(2-isocyanoethyl)piperazine?
The CAS number of 1-Butyl-4-(2-isocyanoethyl)piperazine is 832113-83-4.
What is the molecular formula of 1-Butyl-4-(2-isocyanoethyl)piperazine?
The molecular formula of 1-Butyl-4-(2-isocyanoethyl)piperazine is C11H21N3.
What is the molecular weight of 1-Butyl-4-(2-isocyanoethyl)piperazine?
The molecular weight of 1-Butyl-4-(2-isocyanoethyl)piperazine is 195.17 g/mol.
Where can I buy 1-Butyl-4-(2-isocyanoethyl)piperazine?
You can request a quote for 1-Butyl-4-(2-isocyanoethyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butyl-4-(2-isocyanoethyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-Butyl-4-(2-isocyanoethyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.