2-Pyrrolidinone, 1-(4-(dimethylamino)-2-butynyl)-5-methyl-, ethanedioate (2:3)
TL;DR: 2-Pyrrolidinone, 1-(4-(dimethylamino)-2-butynyl)-5-methyl-, ethanedioate (2:3) (CAS 71970-75-7) is a chemical compound with molecular formula C28H42N4O14 and molecular weight 658.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(1-[4-(dimethylamino)but-2-ynyl]-5-methylpyrrolidin-2-one);oxalic acid
Also Known As: C11H18N2O.3/2C2H2O4, 2-Pyrrolidinone, 1-(4-(dimethylamino)-2-butynyl)-5-methyl-, ethanedioate (2:3), C11-H18-N2-O.3/2C2-H2-O4, N-(4-(Dimethylamino)-2-butynyl)-5-methyl-2-pyrrolidone sesquioxalate, 1-(4-(Dimethylamino)-2-butynyl)-5-methyl-2-pyrrolidinone ethanedioate (2:3)
| Molecular Formula | C28H42N4O14 |
|---|---|
| Molecular Weight | 658.27 g/mol |
| LogP | -1.4086 |
| Topological Polar Surface Area | 270.9 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 658.2698 |
| Heavy Atoms | 46 |
| Complexity | 1044.9224 |
Chemical Identifiers
| CAS Number | 71970-75-7 |
|---|---|
| SMILES | CC1CCC(=O)N1CC#CCN(C)C.CC1CCC(=O)N1CC#CCN(C)C.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O |
Product Overview
2-Pyrrolidinone, 1-(4-(dimethylamino)-2-butynyl)-5-methyl-, ethanedioate (2:3) (CAS 71970-75-7), with molecular formula C28H42N4O14 and molecular weight 658.27 g/mol. IUPAC: bis(1-[4-(dimethylamino)but-2-ynyl]-5-methylpyrrolidin-2-one);oxalic acid.
Chemical Property Profile of 2-Pyrrolidinone, 1-(4-(dimethylamino)-2-butynyl)-5-methyl-, ethanedioate (2:3)
Property Insights of 2-Pyrrolidinone, 1-(4-(dimethylamino)-2-butynyl)-5-methyl-, ethanedioate (2:3)
The XLogP value of -1.4086 indicates that 2-Pyrrolidinone, 1-(4-(dimethylamino)-2-butynyl)-5-methyl-, ethanedioate (2:3) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 270.9 Ų indicates high polarity, suggesting 2-Pyrrolidinone, 1-(4-(dimethylamino)-2-butynyl)-5-methyl-, ethanedioate (2:3) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Pyrrolidinone, 1-(4-(dimethylamino)-2-butynyl)-5-methyl-, ethanedioate (2:3) has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Pyrrolidinone, 1-(4-(dimethylamino)-2-butynyl)-5-methyl-, ethanedioate (2:3)?
The CAS number of 2-Pyrrolidinone, 1-(4-(dimethylamino)-2-butynyl)-5-methyl-, ethanedioate (2:3) is 71970-75-7.
What is the molecular formula of 2-Pyrrolidinone, 1-(4-(dimethylamino)-2-butynyl)-5-methyl-, ethanedioate (2:3)?
The molecular formula of 2-Pyrrolidinone, 1-(4-(dimethylamino)-2-butynyl)-5-methyl-, ethanedioate (2:3) is C28H42N4O14.
What is the molecular weight of 2-Pyrrolidinone, 1-(4-(dimethylamino)-2-butynyl)-5-methyl-, ethanedioate (2:3)?
The molecular weight of 2-Pyrrolidinone, 1-(4-(dimethylamino)-2-butynyl)-5-methyl-, ethanedioate (2:3) is 658.27 g/mol.
Where can I buy 2-Pyrrolidinone, 1-(4-(dimethylamino)-2-butynyl)-5-methyl-, ethanedioate (2:3)?
You can request a quote for 2-Pyrrolidinone, 1-(4-(dimethylamino)-2-butynyl)-5-methyl-, ethanedioate (2:3) 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)-5-methyl-, ethanedioate (2:3)?
Yes, KEHONG BIO provides custom synthesis services for 2-Pyrrolidinone, 1-(4-(dimethylamino)-2-butynyl)-5-methyl-, ethanedioate (2:3) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.