CAS RN: 71288-96-5
5-(AMINOMETHYL)-2-FLUOROPHENOL
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.20260310 | 100mg / 250mg / 500mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS71288-96-5
- Purity/Analytical Methods: >99.0%
71288-96-5 / 5-(aminomethyl)-2-fluorophenol
Basic Information
CAS
71288-96-5
Multi CAS
No
Molecular Formula
C7FH8NO
Molecular Weight
141.140000
Exact Mass
141.058992
InChI
InChI=1S/C7H8FNO/c8-6-2-1-5(4-9)3-7(6)10/h1-3,10H,4,9H2
InChIKey
MITDKCUPBXYTCM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
35.96
TPSA
46.25
LogP / Solubility
WLOGP
0.99
MLOGP
0.86
XLogP3
0.5
Consensus LogP
0.78
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-1.43
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.52
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)
-2.88
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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