CAS RN: 688362-55-2
Benzenemethanamine, alpha-ethenyl-4-fluoro- (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.20260409 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS688362-55-2
- Purity/Analytical Methods: >99.0%
688362-55-2 / 1-(4-fluorophenyl)prop-2-en-1-amine
Basic Information
CAS
688362-55-2
Multi CAS
No
Molecular Formula
C9FH10N
Molecular Weight
151.180000
Exact Mass
151.079727
InChI
InChI=1S/C9H10FN/c1-2-9(11)7-3-5-8(10)6-4-7/h2-6,9H,1,11H2
InChIKey
SAZVKEQJUIEVBX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.53
TPSA
26.02
LogP / Solubility
WLOGP
2.01
MLOGP
1.76
XLogP3
1.7
Consensus LogP
1.82
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
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)
-2.21
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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