2-Butanone, 1-(2-benzoyl-1-pyrrolyl)-4-morpholino-1-phenyl-, citrate
TL;DR: 2-Butanone, 1-(2-benzoyl-1-pyrrolyl)-4-morpholino-1-phenyl-, citrate (CAS 13501-07-0) is a chemical compound with molecular formula C31H34N2O10 and molecular weight 594.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-benzoylpyrrol-1-yl)-4-morpholin-4-ium-4-yl-1-phenylbutan-2-one;2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate
Also Known As: 1-(2-Benzoyl-1-pyrrolyl)-4-morpholino-1-phenyl-2-butanone citrate, 2-BUTANONE, 1-(2-BENZOYL-1-PYRROLYL)-4-MORPHOLINO-1-PHENYL-, CITRATE, 1-(2-Benzoyl-1-pyrrolyl)-4-morpholino-1-phenyl-2-butanonecitrate, 1-[2-(Benzoyl)pyrrol-1-yl]-4-morpholin-4-ium-4-yl-1-phenylbutan-2-one;2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate, 1-(2-benzoylpyrrol-1-yl)-4-morpholin-4-ium-4-yl-1-phenylbutan-2-one; 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate
| Molecular Formula | C31H34N2O10 |
|---|---|
| Molecular Weight | 594.22 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 188.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 594.2214 |
| Heavy Atoms | 43 |
| Complexity | 785.0 |
Chemical Identifiers
| CAS Number | 13501-07-0 |
|---|---|
| SMILES | C1COCC[NH+]1CCC(=O)C(C2=CC=CC=C2)N3C=CC=C3C(=O)C4=CC=CC=C4.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O |
| InChIKey | ZKEYBUNLJBHEON-UHFFFAOYSA-N |
Product Overview
2-Butanone, 1-(2-benzoyl-1-pyrrolyl)-4-morpholino-1-phenyl-, citrate (CAS 13501-07-0), with molecular formula C31H34N2O10 and molecular weight 594.22 g/mol. IUPAC: 1-(2-benzoylpyrrol-1-yl)-4-morpholin-4-ium-4-yl-1-phenylbutan-2-one;2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate.
Chemical Property Profile of 2-Butanone, 1-(2-benzoyl-1-pyrrolyl)-4-morpholino-1-phenyl-, citrate
Property Insights of 2-Butanone, 1-(2-benzoyl-1-pyrrolyl)-4-morpholino-1-phenyl-, citrate
The XLogP value of -0.4 indicates that 2-Butanone, 1-(2-benzoyl-1-pyrrolyl)-4-morpholino-1-phenyl-, citrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 188.0 Ų indicates high polarity, suggesting 2-Butanone, 1-(2-benzoyl-1-pyrrolyl)-4-morpholino-1-phenyl-, citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Butanone, 1-(2-benzoyl-1-pyrrolyl)-4-morpholino-1-phenyl-, citrate has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Butanone, 1-(2-benzoyl-1-pyrrolyl)-4-morpholino-1-phenyl-, citrate?
The CAS number of 2-Butanone, 1-(2-benzoyl-1-pyrrolyl)-4-morpholino-1-phenyl-, citrate is 13501-07-0.
What is the molecular formula of 2-Butanone, 1-(2-benzoyl-1-pyrrolyl)-4-morpholino-1-phenyl-, citrate?
The molecular formula of 2-Butanone, 1-(2-benzoyl-1-pyrrolyl)-4-morpholino-1-phenyl-, citrate is C31H34N2O10.
What is the molecular weight of 2-Butanone, 1-(2-benzoyl-1-pyrrolyl)-4-morpholino-1-phenyl-, citrate?
The molecular weight of 2-Butanone, 1-(2-benzoyl-1-pyrrolyl)-4-morpholino-1-phenyl-, citrate is 594.22 g/mol.
Where can I buy 2-Butanone, 1-(2-benzoyl-1-pyrrolyl)-4-morpholino-1-phenyl-, citrate?
You can request a quote for 2-Butanone, 1-(2-benzoyl-1-pyrrolyl)-4-morpholino-1-phenyl-, citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butanone, 1-(2-benzoyl-1-pyrrolyl)-4-morpholino-1-phenyl-, citrate?
Yes, KEHONG BIO provides custom synthesis services for 2-Butanone, 1-(2-benzoyl-1-pyrrolyl)-4-morpholino-1-phenyl-, citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.