Butyrophenone, 4'-fluoro-4-(2-imidazolin-2-yl)amino-
TL;DR: Butyrophenone, 4'-fluoro-4-(2-imidazolin-2-yl)amino- (CAS 59921-76-5) is a chemical compound with molecular formula C13H16FN3O and molecular weight 249.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4,5-dihydro-1H-imidazol-2-ylamino)-1-(4-fluorophenyl)butan-1-one
Also Known As: 4'-Fluoro-4-(2-imidazolin-2-yl)aminobutyrophenone, BUTYROPHENONE, 4'-FLUORO-4-(2-IMIDAZOLIN-2-YL)AMINO-, 5-25-09-00320 (Beilstein Handbook Reference), 2-(3-(4'-Fluorobenzoil)propil)aminoimidazolina-(2), 2-(3-(4'-Fluorobenzoil)propil)aminoimidazolina-(2) [Italian]
| Molecular Formula | C13H16FN3O |
|---|---|
| Molecular Weight | 249.13 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 53.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 249.12775 |
| Heavy Atoms | 18 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 59921-76-5 |
|---|---|
| SMILES | C1CN=C(N1)NCCCC(=O)C2=CC=C(C=C2)F |
| InChIKey | OTZZAZVAEUUAJJ-UHFFFAOYSA-N |
Product Overview
Butyrophenone, 4'-fluoro-4-(2-imidazolin-2-yl)amino- (CAS 59921-76-5), with molecular formula C13H16FN3O and molecular weight 249.13 g/mol. IUPAC: 4-(4,5-dihydro-1H-imidazol-2-ylamino)-1-(4-fluorophenyl)butan-1-one.
Chemical Property Profile of Butyrophenone, 4'-fluoro-4-(2-imidazolin-2-yl)amino-
Property Insights of Butyrophenone, 4'-fluoro-4-(2-imidazolin-2-yl)amino-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyrophenone, 4'-fluoro-4-(2-imidazolin-2-yl)amino-. With a topological polar surface area (TPSA) of 53.5 Ų, Butyrophenone, 4'-fluoro-4-(2-imidazolin-2-yl)amino- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyrophenone, 4'-fluoro-4-(2-imidazolin-2-yl)amino- has 2 hydrogen bond donor(s) and 3 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-(2-imidazolin-2-yl)amino-?
The CAS number of Butyrophenone, 4'-fluoro-4-(2-imidazolin-2-yl)amino- is 59921-76-5.
What is the molecular formula of Butyrophenone, 4'-fluoro-4-(2-imidazolin-2-yl)amino-?
The molecular formula of Butyrophenone, 4'-fluoro-4-(2-imidazolin-2-yl)amino- is C13H16FN3O.
What is the molecular weight of Butyrophenone, 4'-fluoro-4-(2-imidazolin-2-yl)amino-?
The molecular weight of Butyrophenone, 4'-fluoro-4-(2-imidazolin-2-yl)amino- is 249.13 g/mol.
Where can I buy Butyrophenone, 4'-fluoro-4-(2-imidazolin-2-yl)amino-?
You can request a quote for Butyrophenone, 4'-fluoro-4-(2-imidazolin-2-yl)amino- 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-(2-imidazolin-2-yl)amino-?
Yes, KEHONG BIO provides custom synthesis services for Butyrophenone, 4'-fluoro-4-(2-imidazolin-2-yl)amino- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.