2-Pyrrolidinone, 1-(4-(diethylamino)-2-butynyl)-5-methyl-, ethanedioate (2:3)
TL;DR: 2-Pyrrolidinone, 1-(4-(diethylamino)-2-butynyl)-5-methyl-, ethanedioate (2:3) (CAS 112483-20-2) is a chemical compound with molecular formula C32H50N4O14 and molecular weight 714.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(1-[4-(diethylamino)but-2-ynyl]-5-methylpyrrolidin-2-one);oxalic acid
Also Known As: C13H22N2O.3/2C2H2O4, 1-(4-(Diethylamino)-2-butynyl)-5-methyl-2-pyrrolidinone ethanedioate (2:3), N-(4-(Diethylamino)-2-butynyl)-5-methyl-2-pyrrolidone sesquioxalate, 2-Pyrrolidinone, 1-(4-(diethylamino)-2-butynyl)-5-methyl-, ethanedioate (2:3), C13-H22-N2-O.3/2C2-H2-O4
| Molecular Formula | C32H50N4O14 |
|---|---|
| Molecular Weight | 714.33 g/mol |
| LogP | 0.1518 |
| Topological Polar Surface Area | 270.9 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 714.33234 |
| Heavy Atoms | 50 |
| Complexity | 1103.6146 |
Chemical Identifiers
| CAS Number | 112483-20-2 |
|---|---|
| SMILES | CCN(CC)CC#CCN1C(CCC1=O)C.CCN(CC)CC#CCN1C(CCC1=O)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-(diethylamino)-2-butynyl)-5-methyl-, ethanedioate (2:3) (CAS 112483-20-2), with molecular formula C32H50N4O14 and molecular weight 714.33 g/mol. IUPAC: bis(1-[4-(diethylamino)but-2-ynyl]-5-methylpyrrolidin-2-one);oxalic acid.
Chemical Property Profile of 2-Pyrrolidinone, 1-(4-(diethylamino)-2-butynyl)-5-methyl-, ethanedioate (2:3)
Property Insights of 2-Pyrrolidinone, 1-(4-(diethylamino)-2-butynyl)-5-methyl-, ethanedioate (2:3)
The XLogP value of 0.1518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pyrrolidinone, 1-(4-(diethylamino)-2-butynyl)-5-methyl-, ethanedioate (2:3). The TPSA of 270.9 Ų indicates high polarity, suggesting 2-Pyrrolidinone, 1-(4-(diethylamino)-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-(diethylamino)-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-(diethylamino)-2-butynyl)-5-methyl-, ethanedioate (2:3)?
The CAS number of 2-Pyrrolidinone, 1-(4-(diethylamino)-2-butynyl)-5-methyl-, ethanedioate (2:3) is 112483-20-2.
What is the molecular formula of 2-Pyrrolidinone, 1-(4-(diethylamino)-2-butynyl)-5-methyl-, ethanedioate (2:3)?
The molecular formula of 2-Pyrrolidinone, 1-(4-(diethylamino)-2-butynyl)-5-methyl-, ethanedioate (2:3) is C32H50N4O14.
What is the molecular weight of 2-Pyrrolidinone, 1-(4-(diethylamino)-2-butynyl)-5-methyl-, ethanedioate (2:3)?
The molecular weight of 2-Pyrrolidinone, 1-(4-(diethylamino)-2-butynyl)-5-methyl-, ethanedioate (2:3) is 714.33 g/mol.
Where can I buy 2-Pyrrolidinone, 1-(4-(diethylamino)-2-butynyl)-5-methyl-, ethanedioate (2:3)?
You can request a quote for 2-Pyrrolidinone, 1-(4-(diethylamino)-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-(diethylamino)-2-butynyl)-5-methyl-, ethanedioate (2:3)?
Yes, KEHONG BIO provides custom synthesis services for 2-Pyrrolidinone, 1-(4-(diethylamino)-2-butynyl)-5-methyl-, ethanedioate (2:3) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.