CAS RN: 61599-24-4
4-Fluorobutanol
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260308 | 5g / 25g / 100g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS61599-24-4
- Purity/Analytical Methods: >99.0%
61599-24-4 / 4-fluorobutan-1-ol
Basic Information
CAS
61599-24-4
Multi CAS
Yes
Molecular Formula
C4FH9O
Molecular Weight
92.110000
Exact Mass
92.063743
InChI
InChI=1S/C4H9FO/c5-3-1-2-4-6/h6H,1-4H2
InChIKey
SHOBGSRUFRALBO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
22.29
TPSA
20.23
LogP / Solubility
WLOGP
0.73
MLOGP
0.63
XLogP3
0.2
Consensus LogP
0.52
Log S (ESOL)
-0.67
Class (ESOL)
Very soluble
Log S (Ali)
-0.84
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.22
Class (SILICOS-IT)
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)
-2.76
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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