CAS RN: 2055841-56-8
2-AMINO-2-(3-METHYLPHENYL)ETHAN-1-OL HCL
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.20260505 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2055841-56-8
- Purity/Analytical Methods: >99.0%
2055841-56-8 / 2-amino-2-(3-methylphenyl)ethanol;hydrochloride
Basic Information
CAS
2055841-56-8
Multi CAS
No
Molecular Formula
C9H14ClNO
Molecular Weight
187.660000
Exact Mass
187.076392
SMILES
CC1=CC(=CC=C1)C(CO)N.Cl
InChI
InChI=1S/C9H13NO.ClH/c1-7-3-2-4-8(5-7)9(10)6-11;/h2-5,9,11H,6,10H2,1H3;1H
InChIKey
IHNWJJLKSBXLRI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
52.44
TPSA
46.25
LogP / Solubility
WLOGP
1.41
MLOGP
1.24
XLogP3
1.41
Consensus LogP
1.35
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.29
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)
-2.86
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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