Butanone, 1-(2-benzoyl-1-pyrrolyl)-4-morpholino-, maleate
TL;DR: Butanone, 1-(2-benzoyl-1-pyrrolyl)-4-morpholino-, maleate (CAS 14646-87-8) is a chemical compound with molecular formula C23H26N2O7 and molecular weight 442.17 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-ylbutan-2-one;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: 1-(2-Benzoyl-1-pyrrolyl)-4-morpholinobutanone maleate, BUTANONE, 1-(2-BENZOYL-1-PYRROLYL)-4-MORPHOLINO-, MALEATE, 1-(2-benzoylpyrrol-1-yl)-4-morpholin-4-ium-4-ylbutan-2-one; (Z)-4-hydroxy-4-oxobut-2-enoate, RefChem:1080352
| Molecular Formula | C23H26N2O7 |
|---|---|
| Molecular Weight | 442.17 g/mol |
| LogP | -1.0295 |
| Topological Polar Surface Area | 130.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 442.174 |
| Heavy Atoms | 32 |
| Complexity | 928.26434 |
Chemical Identifiers
| CAS Number | 14646-87-8 |
|---|---|
| SMILES | C1COCC[NH+]1CCC(=O)CN2C=CC=C2C(=O)C3=CC=CC=C3.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
Butanone, 1-(2-benzoyl-1-pyrrolyl)-4-morpholino-, maleate (CAS 14646-87-8), with molecular formula C23H26N2O7 and molecular weight 442.17 g/mol. IUPAC: 1-(2-benzoylpyrrol-1-yl)-4-morpholin-4-ium-4-ylbutan-2-one;(Z)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of Butanone, 1-(2-benzoyl-1-pyrrolyl)-4-morpholino-, maleate
Property Insights of Butanone, 1-(2-benzoyl-1-pyrrolyl)-4-morpholino-, maleate
The XLogP value of -1.0295 indicates that Butanone, 1-(2-benzoyl-1-pyrrolyl)-4-morpholino-, maleate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 130.17 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanone, 1-(2-benzoyl-1-pyrrolyl)-4-morpholino-, maleate. Following Lipinski's Rule of Five, Butanone, 1-(2-benzoyl-1-pyrrolyl)-4-morpholino-, maleate has 2 hydrogen bond donor(s) and 6 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 Butanone, 1-(2-benzoyl-1-pyrrolyl)-4-morpholino-, maleate?
The CAS number of Butanone, 1-(2-benzoyl-1-pyrrolyl)-4-morpholino-, maleate is 14646-87-8.
What is the molecular formula of Butanone, 1-(2-benzoyl-1-pyrrolyl)-4-morpholino-, maleate?
The molecular formula of Butanone, 1-(2-benzoyl-1-pyrrolyl)-4-morpholino-, maleate is C23H26N2O7.
What is the molecular weight of Butanone, 1-(2-benzoyl-1-pyrrolyl)-4-morpholino-, maleate?
The molecular weight of Butanone, 1-(2-benzoyl-1-pyrrolyl)-4-morpholino-, maleate is 442.17 g/mol.
Where can I buy Butanone, 1-(2-benzoyl-1-pyrrolyl)-4-morpholino-, maleate?
You can request a quote for Butanone, 1-(2-benzoyl-1-pyrrolyl)-4-morpholino-, maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanone, 1-(2-benzoyl-1-pyrrolyl)-4-morpholino-, maleate?
Yes, KEHONG BIO provides custom synthesis services for Butanone, 1-(2-benzoyl-1-pyrrolyl)-4-morpholino-, maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.