N-(4-((2-bromoethyl)methylamino)-2-butynyl)-2-pyrrolidone
TL;DR: N-(4-((2-bromoethyl)methylamino)-2-butynyl)-2-pyrrolidone (CAS 106976-61-8) is a chemical compound with molecular formula C11H17BrN2O and molecular weight 272.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[2-bromoethyl(methyl)amino]but-2-ynyl]pyrrolidin-2-one
Also Known As: 4-Bembp, BR-401(pharmaceutical), N-(4-((2-Bromoethyl)methylamino)-2-butynyl)-2-pyrrolidone, 1-[4-[2-bromoethyl(methyl)amino]but-2-ynyl]pyrrolidin-2-one, 1-{4-[(2-bromoethyl)(methyl)amino]but-2-yn-1-yl}pyrrolidin-2-one
| Molecular Formula | C11H17BrN2O |
|---|---|
| Molecular Weight | 272.05 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.05243 |
| Heavy Atoms | 15 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 106976-61-8 |
|---|---|
| SMILES | CN(CCBr)CC#CCN1CCCC1=O |
| InChIKey | NBRZZHJIPNSJMI-UHFFFAOYSA-N |
Product Overview
N-(4-((2-bromoethyl)methylamino)-2-butynyl)-2-pyrrolidone (CAS 106976-61-8), with molecular formula C11H17BrN2O and molecular weight 272.05 g/mol. IUPAC: 1-[4-[2-bromoethyl(methyl)amino]but-2-ynyl]pyrrolidin-2-one.
Chemical Property Profile of N-(4-((2-bromoethyl)methylamino)-2-butynyl)-2-pyrrolidone
Property Insights of N-(4-((2-bromoethyl)methylamino)-2-butynyl)-2-pyrrolidone
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-((2-bromoethyl)methylamino)-2-butynyl)-2-pyrrolidone. With a topological polar surface area (TPSA) of 23.6 Ų, N-(4-((2-bromoethyl)methylamino)-2-butynyl)-2-pyrrolidone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-((2-bromoethyl)methylamino)-2-butynyl)-2-pyrrolidone 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 N-(4-((2-bromoethyl)methylamino)-2-butynyl)-2-pyrrolidone?
The CAS number of N-(4-((2-bromoethyl)methylamino)-2-butynyl)-2-pyrrolidone is 106976-61-8.
What is the molecular formula of N-(4-((2-bromoethyl)methylamino)-2-butynyl)-2-pyrrolidone?
The molecular formula of N-(4-((2-bromoethyl)methylamino)-2-butynyl)-2-pyrrolidone is C11H17BrN2O.
What is the molecular weight of N-(4-((2-bromoethyl)methylamino)-2-butynyl)-2-pyrrolidone?
The molecular weight of N-(4-((2-bromoethyl)methylamino)-2-butynyl)-2-pyrrolidone is 272.05 g/mol.
Where can I buy N-(4-((2-bromoethyl)methylamino)-2-butynyl)-2-pyrrolidone?
You can request a quote for N-(4-((2-bromoethyl)methylamino)-2-butynyl)-2-pyrrolidone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-((2-bromoethyl)methylamino)-2-butynyl)-2-pyrrolidone?
Yes, KEHONG BIO provides custom synthesis services for N-(4-((2-bromoethyl)methylamino)-2-butynyl)-2-pyrrolidone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.