Butyrophenone, 4'-fluoro-4-(1-pyrrolidinyl)-, maleate
TL;DR: Butyrophenone, 4'-fluoro-4-(1-pyrrolidinyl)-, maleate (CAS 59921-81-2) is a chemical compound with molecular formula C18H22FNO5 and molecular weight 351.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-4-pyrrolidin-1-ium-1-ylbutan-1-one;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: 4'-Fluoro-4-(1-pyrrolidinyl)butyrophenone maleate, 1-(4'-Fluorobenzoyl)-3-pyrrolidinylpropane maleate, 1-(4'-Fluorobenzoil)-3-pirrolidinopropano maleato, BUTYROPHENONE, 4'-FLUORO-4-(1-PYRROLIDINYL)-, MALEATE, 1-(4'-Fluorobenzoil)-3-pirrolidinopropano maleato [Italian]
| Molecular Formula | C18H22FNO5 |
|---|---|
| Molecular Weight | 351.15 g/mol |
| LogP | -0.1556 |
| Topological Polar Surface Area | 98.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 351.1482 |
| Heavy Atoms | 25 |
| Complexity | 590.39734 |
Chemical Identifiers
| CAS Number | 59921-81-2 |
|---|---|
| SMILES | C1CC[NH+](C1)CCCC(=O)C2=CC=C(C=C2)F.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
Butyrophenone, 4'-fluoro-4-(1-pyrrolidinyl)-, maleate (CAS 59921-81-2), with molecular formula C18H22FNO5 and molecular weight 351.15 g/mol. IUPAC: 1-(4-fluorophenyl)-4-pyrrolidin-1-ium-1-ylbutan-1-one;(Z)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of Butyrophenone, 4'-fluoro-4-(1-pyrrolidinyl)-, maleate
Property Insights of Butyrophenone, 4'-fluoro-4-(1-pyrrolidinyl)-, maleate
The XLogP value of -0.1556 indicates that Butyrophenone, 4'-fluoro-4-(1-pyrrolidinyl)-, maleate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 98.94 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyrophenone, 4'-fluoro-4-(1-pyrrolidinyl)-, maleate. Following Lipinski's Rule of Five, Butyrophenone, 4'-fluoro-4-(1-pyrrolidinyl)-, maleate has 2 hydrogen bond donor(s) and 4 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 Butyrophenone, 4'-fluoro-4-(1-pyrrolidinyl)-, maleate?
The CAS number of Butyrophenone, 4'-fluoro-4-(1-pyrrolidinyl)-, maleate is 59921-81-2.
What is the molecular formula of Butyrophenone, 4'-fluoro-4-(1-pyrrolidinyl)-, maleate?
The molecular formula of Butyrophenone, 4'-fluoro-4-(1-pyrrolidinyl)-, maleate is C18H22FNO5.
What is the molecular weight of Butyrophenone, 4'-fluoro-4-(1-pyrrolidinyl)-, maleate?
The molecular weight of Butyrophenone, 4'-fluoro-4-(1-pyrrolidinyl)-, maleate is 351.15 g/mol.
Where can I buy Butyrophenone, 4'-fluoro-4-(1-pyrrolidinyl)-, maleate?
You can request a quote for Butyrophenone, 4'-fluoro-4-(1-pyrrolidinyl)-, maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyrophenone, 4'-fluoro-4-(1-pyrrolidinyl)-, maleate?
Yes, KEHONG BIO provides custom synthesis services for Butyrophenone, 4'-fluoro-4-(1-pyrrolidinyl)-, maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.