2-Pyrrolidinone, 1-(4-(1-pyrrolidinyl)-2-butynyl)-, picrolonate
TL;DR: 2-Pyrrolidinone, 1-(4-(1-pyrrolidinyl)-2-butynyl)-, picrolonate (CAS 4322-43-4) is a chemical compound with molecular formula C22H26N6O6 and molecular weight 470.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one;1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one
Also Known As: Oxotremorine picrolonate, 2-Pyrrolidinone, 1-(4-(1-pyrrolidinyl)-2-butynyl)-, picrolonate, 5-Methyl-4-nitro-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one--1-[4-(pyrrolidin-1-yl)but-2-yn-1-yl]pyrrolidin-2-one (1/1), 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one; 1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one, RefChem:266846
| Molecular Formula | C22H26N6O6 |
|---|---|
| Molecular Weight | 470.19 g/mol |
| LogP | 1.6706 |
| Topological Polar Surface Area | 148.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 470.19138 |
| Heavy Atoms | 34 |
| Complexity | 737.0 |
Chemical Identifiers
| CAS Number | 4322-43-4 |
|---|---|
| SMILES | CC1=NN(C(=O)C1[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-].C1CCN(C1)CC#CCN2CCCC2=O |
| InChIKey | ZHBNDZLHKKGYAC-UHFFFAOYSA-N |
Product Overview
2-Pyrrolidinone, 1-(4-(1-pyrrolidinyl)-2-butynyl)-, picrolonate (CAS 4322-43-4), with molecular formula C22H26N6O6 and molecular weight 470.19 g/mol. IUPAC: 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one;1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one.
Chemical Property Profile of 2-Pyrrolidinone, 1-(4-(1-pyrrolidinyl)-2-butynyl)-, picrolonate
Property Insights of 2-Pyrrolidinone, 1-(4-(1-pyrrolidinyl)-2-butynyl)-, picrolonate
The XLogP value of 1.6706 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pyrrolidinone, 1-(4-(1-pyrrolidinyl)-2-butynyl)-, picrolonate. The TPSA of 148.0 Ų indicates high polarity, suggesting 2-Pyrrolidinone, 1-(4-(1-pyrrolidinyl)-2-butynyl)-, picrolonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Pyrrolidinone, 1-(4-(1-pyrrolidinyl)-2-butynyl)-, picrolonate has 0 hydrogen bond donor(s) and 8 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-(1-pyrrolidinyl)-2-butynyl)-, picrolonate?
The CAS number of 2-Pyrrolidinone, 1-(4-(1-pyrrolidinyl)-2-butynyl)-, picrolonate is 4322-43-4.
What is the molecular formula of 2-Pyrrolidinone, 1-(4-(1-pyrrolidinyl)-2-butynyl)-, picrolonate?
The molecular formula of 2-Pyrrolidinone, 1-(4-(1-pyrrolidinyl)-2-butynyl)-, picrolonate is C22H26N6O6.
What is the molecular weight of 2-Pyrrolidinone, 1-(4-(1-pyrrolidinyl)-2-butynyl)-, picrolonate?
The molecular weight of 2-Pyrrolidinone, 1-(4-(1-pyrrolidinyl)-2-butynyl)-, picrolonate is 470.19 g/mol.
Where can I buy 2-Pyrrolidinone, 1-(4-(1-pyrrolidinyl)-2-butynyl)-, picrolonate?
You can request a quote for 2-Pyrrolidinone, 1-(4-(1-pyrrolidinyl)-2-butynyl)-, picrolonate 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-(1-pyrrolidinyl)-2-butynyl)-, picrolonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Pyrrolidinone, 1-(4-(1-pyrrolidinyl)-2-butynyl)-, picrolonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.