1-Butanone, 1-(4-pyridyl)-4-(1-pyrrolidinyl)-, citrate
TL;DR: 1-Butanone, 1-(4-pyridyl)-4-(1-pyrrolidinyl)-, citrate (CAS 59921-92-5) is a chemical compound with molecular formula C19H26N2O8 and molecular weight 410.1689 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;1-pyridin-4-yl-4-pyrrolidin-1-ium-1-ylbutan-1-one
Also Known As: 1-Isonicotinoil-3-pirrolidinopropano citrato, 1-Isonicotinoil-3-pirrolidinopropano citrato [Italian], 1-(4-Pyridyl)-4-(1-pyrrolidinyl)-1-butanone citrate, 1-BUTANONE, 1-(4-PYRIDYL)-4-(1-PYRROLIDINYL)-, CITRATE, 1-[4-Oxo-4-(pyridin-4-yl)butyl]pyrrolidin-1-ium 3-carboxy-2-(carboxymethyl)-2-hydroxypropanoate
Technical Specifications
| Molecular Formula | C19H26N2O8 |
| Molecular Weight | 410.1689 g/mol |
| XLogP | -1.86 |
| Topological Polar Surface Area (TPSA) | 169.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 410.1689 Da |
| Heavy Atoms | 29 |
| Complexity | 440.0 |
| SMILES | C1CC[NH+](C1)CCCC(=O)C2=CC=NC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O |
| InChIKey | HDBDDARQHIHXLX-UHFFFAOYSA-N |
Chemical Property Profile of 1-Butanone, 1-(4-pyridyl)-4-(1-pyrrolidinyl)-, citrate
Property Insights of 1-Butanone, 1-(4-pyridyl)-4-(1-pyrrolidinyl)-, citrate
The XLogP value of -1.86 indicates that 1-Butanone, 1-(4-pyridyl)-4-(1-pyrrolidinyl)-, citrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 169.0 Ų indicates high polarity, suggesting 1-Butanone, 1-(4-pyridyl)-4-(1-pyrrolidinyl)-, citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Butanone, 1-(4-pyridyl)-4-(1-pyrrolidinyl)-, citrate has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Butanone, 1-(4-pyridyl)-4-(1-pyrrolidinyl)-, citrate?
The CAS number of 1-Butanone, 1-(4-pyridyl)-4-(1-pyrrolidinyl)-, citrate is 59921-92-5.
What is the molecular formula of 1-Butanone, 1-(4-pyridyl)-4-(1-pyrrolidinyl)-, citrate?
The molecular formula of 1-Butanone, 1-(4-pyridyl)-4-(1-pyrrolidinyl)-, citrate is C19H26N2O8.
What is the molecular weight of 1-Butanone, 1-(4-pyridyl)-4-(1-pyrrolidinyl)-, citrate?
The molecular weight of 1-Butanone, 1-(4-pyridyl)-4-(1-pyrrolidinyl)-, citrate is 410.1689 g/mol.
Where can I buy 1-Butanone, 1-(4-pyridyl)-4-(1-pyrrolidinyl)-, citrate?
You can request a quote for 1-Butanone, 1-(4-pyridyl)-4-(1-pyrrolidinyl)-, citrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Butanone, 1-(4-pyridyl)-4-(1-pyrrolidinyl)-, citrate?
Yes, CoreyChem provides custom synthesis services for 1-Butanone, 1-(4-pyridyl)-4-(1-pyrrolidinyl)-, citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.