2-Pyrrolidinone, 1-(4-piperidino-2-butynyl)-, oxalate (2:3)
TL;DR: 2-Pyrrolidinone, 1-(4-piperidino-2-butynyl)-, oxalate (2:3) (CAS 18937-09-2) is a chemical compound with molecular formula C32H46N4O14 and molecular weight 710.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oxalic acid;bis(1-(4-piperidin-1-ylbut-2-ynyl)pyrrolidin-2-one)
Also Known As: C13H20N2O.3/2C2H2O4, 2-Pyrrolidinone, 1-(4-piperidino-2-butynyl)-, oxalate (2:3), 1-(4-Piperidino-2-butynyl)-2-pyrrolidinone oxalate (2:3), C13-H20-N2-O.3/2C2-H2-O4, oxalic acid; 1-(4-piperidin-1-ylbut-2-ynyl)pyrrolidin-2-one
| Molecular Formula | C32H46N4O14 |
|---|---|
| Molecular Weight | 710.30 g/mol |
| LogP | -0.337 |
| Topological Polar Surface Area | 271.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 7 |
| Exact Mass | 710.301 |
| Heavy Atoms | 50 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 18937-09-2 |
|---|---|
| SMILES | C1CCN(CC1)CC#CCN2CCCC2=O.C1CCN(CC1)CC#CCN2CCCC2=O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O |
| InChIKey | RHCUYOFXWXQXFK-UHFFFAOYSA-N |
Product Overview
2-Pyrrolidinone, 1-(4-piperidino-2-butynyl)-, oxalate (2:3) (CAS 18937-09-2), with molecular formula C32H46N4O14 and molecular weight 710.30 g/mol. IUPAC: oxalic acid;bis(1-(4-piperidin-1-ylbut-2-ynyl)pyrrolidin-2-one).
Chemical Property Profile of 2-Pyrrolidinone, 1-(4-piperidino-2-butynyl)-, oxalate (2:3)
Property Insights of 2-Pyrrolidinone, 1-(4-piperidino-2-butynyl)-, oxalate (2:3)
The XLogP value of -0.337 indicates that 2-Pyrrolidinone, 1-(4-piperidino-2-butynyl)-, oxalate (2:3) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 271.0 Ų indicates high polarity, suggesting 2-Pyrrolidinone, 1-(4-piperidino-2-butynyl)-, oxalate (2:3) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Pyrrolidinone, 1-(4-piperidino-2-butynyl)-, oxalate (2:3) has 6 hydrogen bond donor(s) and 16 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-piperidino-2-butynyl)-, oxalate (2:3)?
The CAS number of 2-Pyrrolidinone, 1-(4-piperidino-2-butynyl)-, oxalate (2:3) is 18937-09-2.
What is the molecular formula of 2-Pyrrolidinone, 1-(4-piperidino-2-butynyl)-, oxalate (2:3)?
The molecular formula of 2-Pyrrolidinone, 1-(4-piperidino-2-butynyl)-, oxalate (2:3) is C32H46N4O14.
What is the molecular weight of 2-Pyrrolidinone, 1-(4-piperidino-2-butynyl)-, oxalate (2:3)?
The molecular weight of 2-Pyrrolidinone, 1-(4-piperidino-2-butynyl)-, oxalate (2:3) is 710.30 g/mol.
Where can I buy 2-Pyrrolidinone, 1-(4-piperidino-2-butynyl)-, oxalate (2:3)?
You can request a quote for 2-Pyrrolidinone, 1-(4-piperidino-2-butynyl)-, oxalate (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-piperidino-2-butynyl)-, oxalate (2:3)?
Yes, KEHONG BIO provides custom synthesis services for 2-Pyrrolidinone, 1-(4-piperidino-2-butynyl)-, oxalate (2:3) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.