Ketone, 1-(2-(diethylamino)ethyl)pyrrol-2-yl 3-pyridyl, citrate
TL;DR: Ketone, 1-(2-(diethylamino)ethyl)pyrrol-2-yl 3-pyridyl, citrate (CAS 6906-93-0) is a chemical compound with molecular formula C22H29N3O8 and molecular weight 463.20 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;diethyl-[2-[2-(pyridine-3-carbonyl)pyrrol-1-yl]ethyl]azanium
Also Known As: KETONE, 1-(2-(DIETHYLAMINO)ETHYL)PYRROL-2-YL 3-PYRIDYL, CITRATE, 3-((1-(2-(Diethylamino)ethyl)-2-pyrrolyl)carbonyl)pyridine citrate, 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate; diethyl-[2-[2-(pyridine-3-carbonyl)pyrrol-1-yl]ethyl]azanium, N,N-Diethyl-2-[2-(pyridine-3-carbonyl)-1H-pyrrol-1-yl]ethan-1-aminium 3-carboxy-2-(carboxymethyl)-2-hydroxypropanoate, RefChem:350372
| Molecular Formula | C22H29N3O8 |
|---|---|
| Molecular Weight | 463.20 g/mol |
| LogP | -1.54 |
| Topological Polar Surface Area | 174.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 463.19547 |
| Heavy Atoms | 33 |
| Complexity | 526.0 |
Chemical Identifiers
| CAS Number | 6906-93-0 |
|---|---|
| SMILES | CC[NH+](CC)CCN1C=CC=C1C(=O)C2=CN=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O |
| InChIKey | IYRYMYRUJQKSHK-UHFFFAOYSA-N |
Product Overview
Ketone, 1-(2-(diethylamino)ethyl)pyrrol-2-yl 3-pyridyl, citrate (CAS 6906-93-0), with molecular formula C22H29N3O8 and molecular weight 463.20 g/mol. IUPAC: 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;diethyl-[2-[2-(pyridine-3-carbonyl)pyrrol-1-yl]ethyl]azanium.
Chemical Property Profile of Ketone, 1-(2-(diethylamino)ethyl)pyrrol-2-yl 3-pyridyl, citrate
Property Insights of Ketone, 1-(2-(diethylamino)ethyl)pyrrol-2-yl 3-pyridyl, citrate
The XLogP value of -1.54 indicates that Ketone, 1-(2-(diethylamino)ethyl)pyrrol-2-yl 3-pyridyl, citrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 174.0 Ų indicates high polarity, suggesting Ketone, 1-(2-(diethylamino)ethyl)pyrrol-2-yl 3-pyridyl, citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ketone, 1-(2-(diethylamino)ethyl)pyrrol-2-yl 3-pyridyl, 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
Frequently Asked Questions
What is the CAS number of Ketone, 1-(2-(diethylamino)ethyl)pyrrol-2-yl 3-pyridyl, citrate?
The CAS number of Ketone, 1-(2-(diethylamino)ethyl)pyrrol-2-yl 3-pyridyl, citrate is 6906-93-0.
What is the molecular formula of Ketone, 1-(2-(diethylamino)ethyl)pyrrol-2-yl 3-pyridyl, citrate?
The molecular formula of Ketone, 1-(2-(diethylamino)ethyl)pyrrol-2-yl 3-pyridyl, citrate is C22H29N3O8.
What is the molecular weight of Ketone, 1-(2-(diethylamino)ethyl)pyrrol-2-yl 3-pyridyl, citrate?
The molecular weight of Ketone, 1-(2-(diethylamino)ethyl)pyrrol-2-yl 3-pyridyl, citrate is 463.20 g/mol.
Where can I buy Ketone, 1-(2-(diethylamino)ethyl)pyrrol-2-yl 3-pyridyl, citrate?
You can request a quote for Ketone, 1-(2-(diethylamino)ethyl)pyrrol-2-yl 3-pyridyl, citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ketone, 1-(2-(diethylamino)ethyl)pyrrol-2-yl 3-pyridyl, citrate?
Yes, KEHONG BIO provides custom synthesis services for Ketone, 1-(2-(diethylamino)ethyl)pyrrol-2-yl 3-pyridyl, citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.