2-Pyrrolidinone, 1-(4-((2-bromoethyl)methylamino)-2-butynyl)-, dihydrobromide
TL;DR: 2-Pyrrolidinone, 1-(4-((2-bromoethyl)methylamino)-2-butynyl)-, dihydrobromide (CAS 106976-62-9) is a chemical compound with molecular formula C11H19Br3N2O and molecular weight 431.90 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;dihydrobromide
Also Known As: BR 401 dihydrobromide, 2-Pyrrolidinone, 1-(4-((2-bromoethyl)methylamino)-2-butynyl)-, dihydrobromide, 1-(4-((2-Bromoethyl)methylamino)-2-butynyl)-2-pyrrolidinone dihydrobromide, 1-[4-[2-bromoethyl(methyl)amino]but-2-ynyl]pyrrolidin-2-one dihydrobromide, 1-{4-[(2-Bromoethyl)(methyl)amino]but-2-yn-1-yl}pyrrolidin-2-one--hydrogen bromide (1/2)
| Molecular Formula | C11H19Br3N2O |
|---|---|
| Molecular Weight | 431.90 g/mol |
| LogP | 2.0947 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 431.90475 |
| Heavy Atoms | 17 |
| Complexity | 275.62546 |
Chemical Identifiers
| CAS Number | 106976-62-9 |
|---|---|
| SMILES | CN(CCBr)CC#CCN1CCCC1=O.Br.Br |
Product Overview
2-Pyrrolidinone, 1-(4-((2-bromoethyl)methylamino)-2-butynyl)-, dihydrobromide (CAS 106976-62-9), with molecular formula C11H19Br3N2O and molecular weight 431.90 g/mol. IUPAC: 1-[4-[2-bromoethyl(methyl)amino]but-2-ynyl]pyrrolidin-2-one;dihydrobromide.
Chemical Property Profile of 2-Pyrrolidinone, 1-(4-((2-bromoethyl)methylamino)-2-butynyl)-, dihydrobromide
Property Insights of 2-Pyrrolidinone, 1-(4-((2-bromoethyl)methylamino)-2-butynyl)-, dihydrobromide
The XLogP value of 2.0947 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pyrrolidinone, 1-(4-((2-bromoethyl)methylamino)-2-butynyl)-, dihydrobromide. With a topological polar surface area (TPSA) of 23.55 Ų, 2-Pyrrolidinone, 1-(4-((2-bromoethyl)methylamino)-2-butynyl)-, dihydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pyrrolidinone, 1-(4-((2-bromoethyl)methylamino)-2-butynyl)-, dihydrobromide 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 2-Pyrrolidinone, 1-(4-((2-bromoethyl)methylamino)-2-butynyl)-, dihydrobromide?
The CAS number of 2-Pyrrolidinone, 1-(4-((2-bromoethyl)methylamino)-2-butynyl)-, dihydrobromide is 106976-62-9.
What is the molecular formula of 2-Pyrrolidinone, 1-(4-((2-bromoethyl)methylamino)-2-butynyl)-, dihydrobromide?
The molecular formula of 2-Pyrrolidinone, 1-(4-((2-bromoethyl)methylamino)-2-butynyl)-, dihydrobromide is C11H19Br3N2O.
What is the molecular weight of 2-Pyrrolidinone, 1-(4-((2-bromoethyl)methylamino)-2-butynyl)-, dihydrobromide?
The molecular weight of 2-Pyrrolidinone, 1-(4-((2-bromoethyl)methylamino)-2-butynyl)-, dihydrobromide is 431.90 g/mol.
Where can I buy 2-Pyrrolidinone, 1-(4-((2-bromoethyl)methylamino)-2-butynyl)-, dihydrobromide?
You can request a quote for 2-Pyrrolidinone, 1-(4-((2-bromoethyl)methylamino)-2-butynyl)-, dihydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pyrrolidinone, 1-(4-((2-bromoethyl)methylamino)-2-butynyl)-, dihydrobromide?
Yes, KEHONG BIO provides custom synthesis services for 2-Pyrrolidinone, 1-(4-((2-bromoethyl)methylamino)-2-butynyl)-, dihydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.