2-Pyrrolidinone, 1-(4-(dimethylamino)-2-butynyl)-
TL;DR: 2-Pyrrolidinone, 1-(4-(dimethylamino)-2-butynyl)- (CAS 3854-02-2) is a chemical compound with molecular formula C10H16N2O and molecular weight 180.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(dimethylamino)but-2-ynyl]pyrrolidin-2-one
Also Known As: BR 100 (pharmaceutical), 1-(4-(Dimethylamino)but-2-yn-1-yl)pyrrolidin-2-one, 1- -PYRROLIDIN-2-ONE, 2-Pyrrolidinone, 1-(4-(dimethylamino)-2-butynyl)-, 1-(4-Dimethylamino-but-2-ynyl)-pyrrolidin-2-one
| Molecular Formula | C10H16N2O |
|---|---|
| Molecular Weight | 180.13 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.12627 |
| Heavy Atoms | 13 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 3854-02-2 |
|---|---|
| SMILES | CN(C)CC#CCN1CCCC1=O |
| InChIKey | VFCXPAQOWQSKLL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Pyrrolidinone, 1-(4-(dimethylamino)-2-butynyl)- (CAS 3854-02-2), with molecular formula C10H16N2O and molecular weight 180.13 g/mol. IUPAC: 1-[4-(dimethylamino)but-2-ynyl]pyrrolidin-2-one.
Chemical Property Profile of 2-Pyrrolidinone, 1-(4-(dimethylamino)-2-butynyl)-
Property Insights of 2-Pyrrolidinone, 1-(4-(dimethylamino)-2-butynyl)-
The XLogP value of -0.1 indicates that 2-Pyrrolidinone, 1-(4-(dimethylamino)-2-butynyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 23.6 Ų, 2-Pyrrolidinone, 1-(4-(dimethylamino)-2-butynyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pyrrolidinone, 1-(4-(dimethylamino)-2-butynyl)- 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-(dimethylamino)-2-butynyl)-?
The CAS number of 2-Pyrrolidinone, 1-(4-(dimethylamino)-2-butynyl)- is 3854-02-2.
What is the molecular formula of 2-Pyrrolidinone, 1-(4-(dimethylamino)-2-butynyl)-?
The molecular formula of 2-Pyrrolidinone, 1-(4-(dimethylamino)-2-butynyl)- is C10H16N2O.
What is the molecular weight of 2-Pyrrolidinone, 1-(4-(dimethylamino)-2-butynyl)-?
The molecular weight of 2-Pyrrolidinone, 1-(4-(dimethylamino)-2-butynyl)- is 180.13 g/mol.
Where can I buy 2-Pyrrolidinone, 1-(4-(dimethylamino)-2-butynyl)-?
You can request a quote for 2-Pyrrolidinone, 1-(4-(dimethylamino)-2-butynyl)- 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-(dimethylamino)-2-butynyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Pyrrolidinone, 1-(4-(dimethylamino)-2-butynyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.