CAS RN: 1611-38-7
1-(4-FLUOROPHENYL)BUT-1-EN-3-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.20260425 | 1mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1611-38-7
- Purity/Analytical Methods: >99.0%
1611-38-7 / (E)-4-(4-fluorophenyl)but-3-en-2-one
Basic Information
CAS
1611-38-7
Multi CAS
No
Molecular Formula
C10H9FO
Molecular Weight
164.180000
Exact Mass
164.063743
SMILES
CC(=O)/C=C/C1=CC=C(C=C1)F
InChI
InChI=1S/C10H9FO/c1-8(12)2-3-9-4-6-10(11)7-5-9/h2-7H,1H3/b3-2+
InChIKey
IXOKEPVAYTWJGM-NSCUHMNNSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
46.12
TPSA
17.07
LogP / Solubility
WLOGP
2.43
MLOGP
2.13
XLogP3
2.2
Consensus LogP
2.25
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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