![1-[4-[2-Chloroethyl(methyl)amino]but-2-ynyl]pyrrolidin-2-one structure](/static/products/3971/39719-59-0.webp)
1-[4-[2-Chloroethyl(methyl)amino]but-2-ynyl]pyrrolidin-2-one
TL;DR: 1-[4-[2-Chloroethyl(methyl)amino]but-2-ynyl]pyrrolidin-2-one (CAS 39719-59-0) is a chemical compound with molecular formula C11H17ClN2O and molecular weight 228.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[2-chloroethyl(methyl)amino]but-2-ynyl]pyrrolidin-2-one
Also Known As: Dso 16, BM 123, N-[4(2-chloroethylmethylamino)-2-butynyl]-2 pyrrolidone, 1-[4-[2-chloroethyl(methyl)amino]but-2-ynyl]pyrrolidin-2-one, 2-pyrrolidinone, 1-[4-[(2-chloroethyl)methylamino]-2-butyn-1-yl]-
| Molecular Formula | C11H17ClN2O |
|---|---|
| Molecular Weight | 228.10 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.10294 |
| Heavy Atoms | 15 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 39719-59-0 |
|---|---|
| SMILES | CN(CCCl)CC#CCN1CCCC1=O |
| InChIKey | NGGDWOKJXSQADN-UHFFFAOYSA-N |
Product Overview
1-[4-[2-Chloroethyl(methyl)amino]but-2-ynyl]pyrrolidin-2-one (CAS 39719-59-0), with molecular formula C11H17ClN2O and molecular weight 228.10 g/mol. IUPAC: 1-[4-[2-chloroethyl(methyl)amino]but-2-ynyl]pyrrolidin-2-one.
Chemical Property Profile of 1-[4-[2-Chloroethyl(methyl)amino]but-2-ynyl]pyrrolidin-2-one
Property Insights of 1-[4-[2-Chloroethyl(methyl)amino]but-2-ynyl]pyrrolidin-2-one
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4-[2-Chloroethyl(methyl)amino]but-2-ynyl]pyrrolidin-2-one. With a topological polar surface area (TPSA) of 23.6 Ų, 1-[4-[2-Chloroethyl(methyl)amino]but-2-ynyl]pyrrolidin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[4-[2-Chloroethyl(methyl)amino]but-2-ynyl]pyrrolidin-2-one 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-[4-[2-Chloroethyl(methyl)amino]but-2-ynyl]pyrrolidin-2-one?
The CAS number of 1-[4-[2-Chloroethyl(methyl)amino]but-2-ynyl]pyrrolidin-2-one is 39719-59-0.
What is the molecular formula of 1-[4-[2-Chloroethyl(methyl)amino]but-2-ynyl]pyrrolidin-2-one?
The molecular formula of 1-[4-[2-Chloroethyl(methyl)amino]but-2-ynyl]pyrrolidin-2-one is C11H17ClN2O.
What is the molecular weight of 1-[4-[2-Chloroethyl(methyl)amino]but-2-ynyl]pyrrolidin-2-one?
The molecular weight of 1-[4-[2-Chloroethyl(methyl)amino]but-2-ynyl]pyrrolidin-2-one is 228.10 g/mol.
Where can I buy 1-[4-[2-Chloroethyl(methyl)amino]but-2-ynyl]pyrrolidin-2-one?
You can request a quote for 1-[4-[2-Chloroethyl(methyl)amino]but-2-ynyl]pyrrolidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-[2-Chloroethyl(methyl)amino]but-2-ynyl]pyrrolidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-[2-Chloroethyl(methyl)amino]but-2-ynyl]pyrrolidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.