CAS RN: 847448-46-8
(S)-1-(3,4-Difluorophenyl)propan-1-aMine hydrochloride
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.20250812 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS847448-46-8
- Purity/Analytical Methods: >99.0%
847448-46-8 / 1-(3,4-difluorophenyl)propan-1-amine
Basic Information
CAS
847448-46-8
Multi CAS
Yes
Molecular Formula
C9F2H11N
Molecular Weight
171.190000
Exact Mass
171.085956
InChI
InChI=1S/C9H11F2N.ClH/c1-2-9(12)6-3-4-7(10)8(11)5-6;/h3-5,9H,2,12H2,1H3;1H/t9-;/m0./s1
InChIKey
BNFNPNSBDYSQAL-FVGYRXGTSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.58
TPSA
26.02
LogP / Solubility
WLOGP
2.37
MLOGP
2.09
XLogP3
1.9
Consensus LogP
2.12
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
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)
-2.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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