CAS RN: 165111-37-5
(6-fluoroquinolin-2-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.20250225 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS165111-37-5
- Purity/Analytical Methods: >99.0%
165111-37-5 / (6-fluoroquinolin-2-yl)methanol
Basic Information
CAS
165111-37-5
Multi CAS
No
Molecular Formula
C10H8FNO
Molecular Weight
177.170000
Exact Mass
177.058992
SMILES
C1=CC2=C(C=CC(=N2)CO)C=C1F
InChI
InChI=1S/C10H8FNO/c11-8-2-4-10-7(5-8)1-3-9(6-13)12-10/h1-5,13H,6H2
InChIKey
BPBYTQJELFYUOP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.62
TPSA
33.12
LogP / Solubility
WLOGP
1.87
MLOGP
1.64
XLogP3
1.4
Consensus LogP
1.64
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 165115-73-1 1,3-PROPANEDIOL, 2-[2-(2,4-DIFLUOROPHENYL)-2-PROPEN-1-YL]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/165115-73-1.gif)
