CAS RN: 715-31-1
2-(PENTAFLUOROPHENYL)-2-PROPANOL
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.20250202 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS715-31-1
- Purity/Analytical Methods: >99.0%
715-31-1 / 2-(2,3,4,5,6-pentafluorophenyl)propan-2-ol
Basic Information
CAS
715-31-1
Multi CAS
Yes
Molecular Formula
C9F5H7O
Molecular Weight
226.140000
Exact Mass
226.041706
InChI
InChI=1S/C9H7F5O/c1-9(2,15)3-4(10)6(12)8(14)7(13)5(3)11/h15H,1-2H3
InChIKey
KGZQNFRUGHFDNR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
41.48
TPSA
20.23
LogP / Solubility
WLOGP
2.61
MLOGP
2.3
XLogP3
2.1
Consensus LogP
2.34
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
Class (SILICOS-IT)
Poorly 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)
-2.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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