CAS RN: 60509-35-5
N-(4-FLUOROBENZYL)BUTAN-1-AMINE
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.20260519 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS60509-35-5
- Purity/Analytical Methods: >99.0%
60509-35-5 / N-[(4-fluorophenyl)methyl]butan-1-amine
Basic Information
CAS
60509-35-5
Multi CAS
Yes
Molecular Formula
C11FH16N
Molecular Weight
181.250000
Exact Mass
181.126678
InChI
InChI=1S/C11H16FN/c1-2-3-8-13-9-10-4-6-11(12)7-5-10/h4-7,13H,2-3,8-9H2,1H3
InChIKey
SZEFNSDEEORQSF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.01
TPSA
12.03
LogP / Solubility
WLOGP
2.72
MLOGP
2.39
XLogP3
2.6
Consensus LogP
2.57
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
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
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.9
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
1.5
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