Pyrrolidine, 1-(2,2,4-trimethyl-3-oxovaleryl)-
TL;DR: Pyrrolidine, 1-(2,2,4-trimethyl-3-oxovaleryl)- (CAS 74332-85-7) is a chemical compound with molecular formula C12H21NO2 and molecular weight 211.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,4-trimethyl-1-pyrrolidin-1-ylpentane-1,3-dione
Also Known As: 1- PYRROLIDINE, 1-(3-Oxo-2,2,4-trimethylvaleryl)pyrrolidine, Pyrrolidine, 1-(2,2,4-trimethyl-3-oxovaleryl)-, 2,2,4-trimethyl-1-pyrrolidin-1-ylpentane-1,3-dione, 1-(2,2,4-trimethyl-3-oxo-pentanoyl)-pyrrolidine
| Molecular Formula | C12H21NO2 |
|---|---|
| Molecular Weight | 211.16 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.15723 |
| Heavy Atoms | 15 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 74332-85-7 |
|---|---|
| SMILES | CC(C)C(=O)C(C)(C)C(=O)N1CCCC1 |
| InChIKey | QCMUKRBNJZARHX-UHFFFAOYSA-N |
Product Overview
Pyrrolidine, 1-(2,2,4-trimethyl-3-oxovaleryl)- (CAS 74332-85-7), with molecular formula C12H21NO2 and molecular weight 211.16 g/mol. IUPAC: 2,2,4-trimethyl-1-pyrrolidin-1-ylpentane-1,3-dione.
Chemical Property Profile of Pyrrolidine, 1-(2,2,4-trimethyl-3-oxovaleryl)-
Property Insights of Pyrrolidine, 1-(2,2,4-trimethyl-3-oxovaleryl)-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrolidine, 1-(2,2,4-trimethyl-3-oxovaleryl)-. With a topological polar surface area (TPSA) of 37.4 Ų, Pyrrolidine, 1-(2,2,4-trimethyl-3-oxovaleryl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolidine, 1-(2,2,4-trimethyl-3-oxovaleryl)- 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 Pyrrolidine, 1-(2,2,4-trimethyl-3-oxovaleryl)-?
The CAS number of Pyrrolidine, 1-(2,2,4-trimethyl-3-oxovaleryl)- is 74332-85-7.
What is the molecular formula of Pyrrolidine, 1-(2,2,4-trimethyl-3-oxovaleryl)-?
The molecular formula of Pyrrolidine, 1-(2,2,4-trimethyl-3-oxovaleryl)- is C12H21NO2.
What is the molecular weight of Pyrrolidine, 1-(2,2,4-trimethyl-3-oxovaleryl)-?
The molecular weight of Pyrrolidine, 1-(2,2,4-trimethyl-3-oxovaleryl)- is 211.16 g/mol.
Where can I buy Pyrrolidine, 1-(2,2,4-trimethyl-3-oxovaleryl)-?
You can request a quote for Pyrrolidine, 1-(2,2,4-trimethyl-3-oxovaleryl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolidine, 1-(2,2,4-trimethyl-3-oxovaleryl)-?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolidine, 1-(2,2,4-trimethyl-3-oxovaleryl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.