CAS RN: 90389-86-9
N-(3-FLUOROPHENYLMETHYL)PROPYLAMINE
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.20251023 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS90389-86-9
- Purity/Analytical Methods: >99.0%
90389-86-9 / N-[(3-fluorophenyl)methyl]propan-1-amine
Basic Information
CAS
90389-86-9
Multi CAS
Yes
Molecular Formula
C10FH14N
Molecular Weight
167.220000
Exact Mass
167.111028
InChI
InChI=1S/C10H14FN/c1-2-6-12-8-9-4-3-5-10(11)7-9/h3-5,7,12H,2,6,8H2,1H3
InChIKey
OORHPLFSYCEZIP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.4
TPSA
12.03
LogP / Solubility
WLOGP
2.33
MLOGP
2.04
XLogP3
2.6
Consensus LogP
2.32
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.16
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)
-2.09
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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- CAS RN: 90390-21-9
- Product Code: starshine_CAS90390-21-9
- Purity/Analytical method: >99.0%
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