CAS RN: 2241594-36-3
(S)-2-Amino-2-(2,4-difluorophenyl)ethan-1-ol 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.20260626 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2241594-36-3
- Purity/Analytical Methods: >99.0%
2241594-36-3 / (2S)-2-amino-2-(2,4-difluorophenyl)ethanol;hydrochloride
Basic Information
CAS
2241594-36-3
Multi CAS
No
Molecular Formula
C8H10ClF2NO
Molecular Weight
209.620000
Exact Mass
209.041898
SMILES
C1=CC(=C(C=C1F)F)[C@@H](CO)N.Cl
InChI
InChI=1S/C8H9F2NO.ClH/c9-5-1-2-6(7(10)3-5)8(11)4-12;/h1-3,8,12H,4,11H2;1H/t8-;/m1./s1
InChIKey
OWOSOCQHBOENHK-DDWIOCJRSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
47.62
TPSA
46.25
LogP / Solubility
WLOGP
1.38
MLOGP
1.21
XLogP3
1.38
Consensus LogP
1.32
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.41
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)
-3.02
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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