CAS RN: 143952-26-5
Cyclopropanebutanol, 2,2-difluoro- (9CI)
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.20250411 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS143952-26-5
- Purity/Analytical Methods: >99.0%
143952-26-5 / 4-(2,2-difluorocyclopropyl)butan-1-ol
Basic Information
CAS
143952-26-5
Multi CAS
No
Molecular Formula
C7H12F2O
Molecular Weight
150.170000
Exact Mass
150.085621
SMILES
C1C(C1(F)F)CCCCO
InChI
InChI=1S/C7H12F2O/c8-7(9)5-6(7)3-1-2-4-10/h6,10H,1-5H2
InChIKey
OSZXTRRWOCZFLD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
33.99
TPSA
20.23
LogP / Solubility
WLOGP
1.8
MLOGP
1.58
XLogP3
1.7
Consensus LogP
1.69
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
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)
-2.36
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
2
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