![CAS 451485-72-6 4-[2-(4-BROMO-2-FLUOROPHENOXY)PHENYL]-3-BUTEN-2-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2199937.gif)
CAS RN: 451485-72-6
4-[2-(4-BROMO-2-FLUOROPHENOXY)PHENYL]-3-BUTEN-2-ONE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250608 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS451485-72-6
- Purity/Analytical Methods: >99.0%
451485-72-6 / 4-[2-(4-bromo-2-fluorophenoxy)phenyl]but-3-en-2-one
Basic Information
CAS
451485-72-6
Multi CAS
Yes
Molecular Formula
BC16H12O2Rf
Molecular Weight
335.170000
Exact Mass
334.000470
InChI
InChI=1S/C16H12BrFO2/c1-11(19)6-7-12-4-2-3-5-15(12)20-16-9-8-13(17)10-14(16)18/h2-10H,1H3/b7-6+
InChIKey
NULGMYYXDTUAJE-VOTSOKGWSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.06
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
80.33
TPSA
26.3
LogP / Solubility
WLOGP
4.98
MLOGP
4.4
XLogP3
4.4
Consensus LogP
4.59
Log S (ESOL)
-5.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.45
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 451493-31-5 2-PropenaMide, N-[4-[(3-chloro-4-fluorophenyl)aMino]-7-[3-Methyl-3-(4-Methyl-1-piperazinyl)-1-butyn-1-yl]-6-quinazolinyl]-, 4-Methylbenzenesulfonate (1:2) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/451493-31-5.gif)
