Ketone, 1-(2-(dimethylamino)propyl)pyrrol-2-yl phenyl, citrate
TL;DR: Ketone, 1-(2-(dimethylamino)propyl)pyrrol-2-yl phenyl, citrate (CAS 7001-97-0) is a chemical compound with molecular formula C22H28N2O8 and molecular weight 448.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-benzoylpyrrol-1-yl)propan-2-yl-dimethylazanium;2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate
Also Known As: 2-Benzoyl-1-(3-(dimethylamino)propyl)pyrrole citrate, KETONE, 1-(2-(DIMETHYLAMINO)PROPYL)PYRROL-2-YL PHENYL, CITRATE, 1-[2-(Benzoyl)pyrrol-1-yl]propan-2-yl-dimethylazanium;2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate, 1-(2-benzoylpyrrol-1-yl)propan-2-yl-dimethylazanium; 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate, RefChem:350377
| Molecular Formula | C22H28N2O8 |
|---|---|
| Molecular Weight | 448.18 g/mol |
| LogP | -1.33 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 448.18457 |
| Heavy Atoms | 32 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 7001-97-0 |
|---|---|
| SMILES | CC(CN1C=CC=C1C(=O)C2=CC=CC=C2)[NH+](C)C.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O |
| InChIKey | QADJMRYFQBLPMU-UHFFFAOYSA-N |
Product Overview
Ketone, 1-(2-(dimethylamino)propyl)pyrrol-2-yl phenyl, citrate (CAS 7001-97-0), with molecular formula C22H28N2O8 and molecular weight 448.18 g/mol. IUPAC: 1-(2-benzoylpyrrol-1-yl)propan-2-yl-dimethylazanium;2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate.
Chemical Property Profile of Ketone, 1-(2-(dimethylamino)propyl)pyrrol-2-yl phenyl, citrate
Property Insights of Ketone, 1-(2-(dimethylamino)propyl)pyrrol-2-yl phenyl, citrate
The XLogP value of -1.33 indicates that Ketone, 1-(2-(dimethylamino)propyl)pyrrol-2-yl phenyl, 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, 1-(2-(dimethylamino)propyl)pyrrol-2-yl phenyl, citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ketone, 1-(2-(dimethylamino)propyl)pyrrol-2-yl phenyl, 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, 1-(2-(dimethylamino)propyl)pyrrol-2-yl phenyl, citrate?
The CAS number of Ketone, 1-(2-(dimethylamino)propyl)pyrrol-2-yl phenyl, citrate is 7001-97-0.
What is the molecular formula of Ketone, 1-(2-(dimethylamino)propyl)pyrrol-2-yl phenyl, citrate?
The molecular formula of Ketone, 1-(2-(dimethylamino)propyl)pyrrol-2-yl phenyl, citrate is C22H28N2O8.
What is the molecular weight of Ketone, 1-(2-(dimethylamino)propyl)pyrrol-2-yl phenyl, citrate?
The molecular weight of Ketone, 1-(2-(dimethylamino)propyl)pyrrol-2-yl phenyl, citrate is 448.18 g/mol.
Where can I buy Ketone, 1-(2-(dimethylamino)propyl)pyrrol-2-yl phenyl, citrate?
You can request a quote for Ketone, 1-(2-(dimethylamino)propyl)pyrrol-2-yl phenyl, 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-(dimethylamino)propyl)pyrrol-2-yl phenyl, citrate?
Yes, KEHONG BIO provides custom synthesis services for Ketone, 1-(2-(dimethylamino)propyl)pyrrol-2-yl phenyl, citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.