CAS RN: 1213317-54-4
(2S)-2-AMINO-2-(3,5-DIMETHYLPHENYL)ETHAN-1-OL
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.20250816 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1213317-54-4
- Purity/Analytical Methods: >99.0%
1213317-54-4 / (2S)-2-amino-2-(3,5-dimethylphenyl)ethanol
(S)-2-Amino-2-(3,5-dimethylphenyl)ethan-1-ol | (2S)-2-AMINO-2-(3,5-DIMETHYLPHENYL)ETHAN-1-OL | (S)-2-Amino-2-(3,5-dimethylphenyl)ethanol
Basic Information
CAS
1213317-54-4
Multi CAS
Yes
Molecular Formula
C10H15NO
Molecular Weight
165.230000
Exact Mass
165.115364
SMILES
CC1=CC(=CC(=C1)[C@@H](CO)N)C
InChI
InChI=1S/C10H15NO/c1-7-3-8(2)5-9(4-7)10(11)6-12/h3-5,10,12H,6,11H2,1-2H3/t10-/m1/s1
InChIKey
WZFVOURVLDLEGP-SNVBAGLBSA-N
Synonyms
(S)-2-Amino-2-(3,5-dimethylphenyl)ethan-1-ol
(2S)-2-AMINO-2-(3,5-DIMETHYLPHENYL)ETHAN-1-OL
(S)-2-Amino-2-(3,5-dimethylphenyl)ethanol
(2S)-2-amino-2-(3,5-dimethylphenyl)ethanol
MFCD09253999
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
49.93
TPSA
46.25
LogP / Solubility
WLOGP
1.3
MLOGP
1.14
XLogP3
0.9
Consensus LogP
1.11
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.05
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)
-2.81
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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