CAS RN: 2411590-94-6
(R)-3-(1-Aminoethyl)-5-fluorophenol 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.20250212 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2411590-94-6
- Purity/Analytical Methods: >99.0%
2411590-94-6 / 3-[(1R)-1-aminoethyl]-5-fluorophenol;hydrochloride
Basic Information
CAS
2411590-94-6
Multi CAS
No
Molecular Formula
C8H11ClFNO
Molecular Weight
191.630000
Exact Mass
191.051320
SMILES
C[C@H](C1=CC(=CC(=C1)F)O)N.Cl
InChI
InChI=1S/C8H10FNO.ClH/c1-5(10)6-2-7(9)4-8(11)3-6;/h2-5,11H,10H2,1H3;1H/t5-;/m1./s1
InChIKey
RALKGNODLJQDMD-NUBCRITNSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
47.92
TPSA
46.25
LogP / Solubility
WLOGP
1.97
MLOGP
1.74
XLogP3
1.97
Consensus LogP
1.89
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
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)
-2.49
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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