CAS RN: 147497-56-1
(4′-FLUOROBIPHENYL-4-YL)-METHANOL
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.20260124 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS147497-56-1
- Purity/Analytical Methods: >99.0%
147497-56-1 / [4-(4-fluorophenyl)phenyl]methanol
Basic Information
CAS
147497-56-1
Multi CAS
No
Molecular Formula
C13H11FO
Molecular Weight
202.220000
Exact Mass
202.079393
SMILES
C1=CC(=CC=C1CO)C2=CC=C(C=C2)F
InChI
InChI=1S/C13H11FO/c14-13-7-5-12(6-8-13)11-3-1-10(9-15)2-4-11/h1-8,15H,9H2
InChIKey
ZSWIVXLMMVNSCM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
57.76
TPSA
20.23
LogP / Solubility
WLOGP
2.99
MLOGP
2.63
XLogP3
3
Consensus LogP
2.87
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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