Ketone, phenyl 1-(2-piperidinopropyl)pyrrol-2-yl, citrate
TL;DR: Ketone, phenyl 1-(2-piperidinopropyl)pyrrol-2-yl, citrate (CAS 14415-59-9) is a chemical compound with molecular formula C25H32N2O8 and molecular weight 488.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;phenyl-[1-(2-piperidin-1-ium-1-ylpropyl)pyrrol-2-yl]methanone
Also Known As: 1-(2-(2-Benzoyl-1-pyrrolidinyl)-1-methylethyl)piperidine citrate, KETONE, PHENYL 1-(2-PIPERIDINOPROPYL)PYRROL-2-YL, CITRATE, 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate; phenyl-[1-(2-piperidin-1-ium-1-ylpropyl)pyrrol-2-yl]methanone, RefChem:350496
| Molecular Formula | C25H32N2O8 |
|---|---|
| Molecular Weight | 488.22 g/mol |
| LogP | -0.41 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 488.21585 |
| Heavy Atoms | 35 |
| Complexity | 580.0 |
Chemical Identifiers
| CAS Number | 14415-59-9 |
|---|---|
| SMILES | CC(CN1C=CC=C1C(=O)C2=CC=CC=C2)[NH+]3CCCCC3.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O |
| InChIKey | QHRCCELKJAFVAF-UHFFFAOYSA-N |
Product Overview
Ketone, phenyl 1-(2-piperidinopropyl)pyrrol-2-yl, citrate (CAS 14415-59-9), with molecular formula C25H32N2O8 and molecular weight 488.22 g/mol. IUPAC: 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;phenyl-[1-(2-piperidin-1-ium-1-ylpropyl)pyrrol-2-yl]methanone.
Chemical Property Profile of Ketone, phenyl 1-(2-piperidinopropyl)pyrrol-2-yl, citrate
Property Insights of Ketone, phenyl 1-(2-piperidinopropyl)pyrrol-2-yl, citrate
The XLogP value of -0.41 indicates that Ketone, phenyl 1-(2-piperidinopropyl)pyrrol-2-yl, citrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 161.0 Ų indicates high polarity, suggesting Ketone, phenyl 1-(2-piperidinopropyl)pyrrol-2-yl, citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ketone, phenyl 1-(2-piperidinopropyl)pyrrol-2-yl, citrate has 4 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 Ketone, phenyl 1-(2-piperidinopropyl)pyrrol-2-yl, citrate?
The CAS number of Ketone, phenyl 1-(2-piperidinopropyl)pyrrol-2-yl, citrate is 14415-59-9.
What is the molecular formula of Ketone, phenyl 1-(2-piperidinopropyl)pyrrol-2-yl, citrate?
The molecular formula of Ketone, phenyl 1-(2-piperidinopropyl)pyrrol-2-yl, citrate is C25H32N2O8.
What is the molecular weight of Ketone, phenyl 1-(2-piperidinopropyl)pyrrol-2-yl, citrate?
The molecular weight of Ketone, phenyl 1-(2-piperidinopropyl)pyrrol-2-yl, citrate is 488.22 g/mol.
Where can I buy Ketone, phenyl 1-(2-piperidinopropyl)pyrrol-2-yl, citrate?
You can request a quote for Ketone, phenyl 1-(2-piperidinopropyl)pyrrol-2-yl, citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ketone, phenyl 1-(2-piperidinopropyl)pyrrol-2-yl, citrate?
Yes, KEHONG BIO provides custom synthesis services for Ketone, phenyl 1-(2-piperidinopropyl)pyrrol-2-yl, citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.