3-Pentanone, 4-(2-benzoylpyrrol-1-yl)-1-morpholino-, citrate
TL;DR: 3-Pentanone, 4-(2-benzoylpyrrol-1-yl)-1-morpholino-, citrate (CAS 15008-85-2) is a chemical compound with molecular formula C26H32N2O10 and molecular weight 532.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-benzoylpyrrol-1-yl)-1-morpholin-4-ylpentan-3-one;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: 2-(1-Benzoyl-1-pyrrolyl)-5-morpholino-3-pentanone citrate, 4-(2-Benzoylpyrrol-1-yl)-1-morpholino-3-pentanone citrate, 3-Pentanone, 4-(2-benzoylpyrrol-1-yl)-1-morpholino-, citrate, 2-Hydroxypropane-1,2,3-tricarboxylic acid--4-(2-benzoyl-1H-pyrrol-1-yl)-1-(morpholin-4-yl)pentan-3-one (1/1), 4-(2-benzoylpyrrol-1-yl)-1-morpholin-4-ylpentan-3-one; 2-hydroxypropane-1,2,3-tricarboxylic acid
| Molecular Formula | C26H32N2O10 |
|---|---|
| Molecular Weight | 532.21 g/mol |
| LogP | 1.323 |
| Topological Polar Surface Area | 184.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 532.2057 |
| Heavy Atoms | 38 |
| Complexity | 683.0 |
Chemical Identifiers
| CAS Number | 15008-85-2 |
|---|---|
| SMILES | CC(C(=O)CCN1CCOCC1)N2C=CC=C2C(=O)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | ZPRYAHKNGGQQGL-UHFFFAOYSA-N |
Product Overview
3-Pentanone, 4-(2-benzoylpyrrol-1-yl)-1-morpholino-, citrate (CAS 15008-85-2), with molecular formula C26H32N2O10 and molecular weight 532.21 g/mol. IUPAC: 4-(2-benzoylpyrrol-1-yl)-1-morpholin-4-ylpentan-3-one;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of 3-Pentanone, 4-(2-benzoylpyrrol-1-yl)-1-morpholino-, citrate
Property Insights of 3-Pentanone, 4-(2-benzoylpyrrol-1-yl)-1-morpholino-, citrate
The XLogP value of 1.323 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pentanone, 4-(2-benzoylpyrrol-1-yl)-1-morpholino-, citrate. The TPSA of 184.0 Ų indicates high polarity, suggesting 3-Pentanone, 4-(2-benzoylpyrrol-1-yl)-1-morpholino-, citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Pentanone, 4-(2-benzoylpyrrol-1-yl)-1-morpholino-, citrate has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Pentanone, 4-(2-benzoylpyrrol-1-yl)-1-morpholino-, citrate?
The CAS number of 3-Pentanone, 4-(2-benzoylpyrrol-1-yl)-1-morpholino-, citrate is 15008-85-2.
What is the molecular formula of 3-Pentanone, 4-(2-benzoylpyrrol-1-yl)-1-morpholino-, citrate?
The molecular formula of 3-Pentanone, 4-(2-benzoylpyrrol-1-yl)-1-morpholino-, citrate is C26H32N2O10.
What is the molecular weight of 3-Pentanone, 4-(2-benzoylpyrrol-1-yl)-1-morpholino-, citrate?
The molecular weight of 3-Pentanone, 4-(2-benzoylpyrrol-1-yl)-1-morpholino-, citrate is 532.21 g/mol.
Where can I buy 3-Pentanone, 4-(2-benzoylpyrrol-1-yl)-1-morpholino-, citrate?
You can request a quote for 3-Pentanone, 4-(2-benzoylpyrrol-1-yl)-1-morpholino-, citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pentanone, 4-(2-benzoylpyrrol-1-yl)-1-morpholino-, citrate?
Yes, KEHONG BIO provides custom synthesis services for 3-Pentanone, 4-(2-benzoylpyrrol-1-yl)-1-morpholino-, citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.