CAS RN: 2250242-63-6
(2R)-2-AMINO-2-(4-BROMO-2-METHYLPHENYL)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.20250418 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2250242-63-6
- Purity/Analytical Methods: >99.0%
2250242-63-6 / 2-amino-2-(4-bromo-2-methylphenyl)ethanol;hydrochloride
Basic Information
CAS
2250242-63-6
Multi CAS
No
Molecular Formula
C9H13BrClNO
Molecular Weight
266.560000
Exact Mass
264.986900
SMILES
CC1=C(C=CC(=C1)Br)C(CO)N.Cl
InChI
InChI=1S/C9H12BrNO.ClH/c1-6-4-7(10)2-3-8(6)9(11)5-12;/h2-4,9,12H,5,11H2,1H3;1H/t9-;/m0./s1
InChIKey
PKSIKAJSFIOGCW-FVGYRXGTSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
60.14
TPSA
46.25
LogP / Solubility
WLOGP
2.17
MLOGP
1.92
XLogP3
2.17
Consensus LogP
2.09
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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