CAS RN: 1864074-37-2
1-(3-FLUOROPHENYL)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.20250822 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1864074-37-2
- Purity/Analytical Methods: >99.0%
1864074-37-2 / 1-(3-fluorophenyl)butan-1-amine;hydrochloride
Basic Information
CAS
1864074-37-2
Multi CAS
No
Molecular Formula
C10H15ClFN
Molecular Weight
203.680000
Exact Mass
203.087705
SMILES
CCCC(C1=CC(=CC=C1)F)N.Cl
InChI
InChI=1S/C10H14FN.ClH/c1-2-4-10(12)8-5-3-6-9(11)7-8;/h3,5-7,10H,2,4,12H2,1H3;1H
InChIKey
PJACYMKJBXMKIA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
55.48
TPSA
26.02
LogP / Solubility
WLOGP
3.05
MLOGP
2.68
XLogP3
3.05
Consensus LogP
2.93
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.87
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)
-1.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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