CAS RN: 1565825-89-9
(R)-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.20250516 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1565825-89-9
- Purity/Analytical Methods: >99.0%
1565825-89-9 / (1R)-1-(3,4-difluorophenyl)propan-1-amine;hydrochloride
Basic Information
CAS
1565825-89-9
Multi CAS
No
Molecular Formula
C9H12ClF2N
Molecular Weight
207.650000
Exact Mass
207.062633
SMILES
CC[C@H](C1=CC(=C(C=C1)F)F)N.Cl
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-;/m1./s1
InChIKey
BNFNPNSBDYSQAL-SBSPUUFOSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.83
TPSA
26.02
LogP / Solubility
WLOGP
2.8
MLOGP
2.46
XLogP3
2.8
Consensus LogP
2.69
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
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
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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