CAS RN: 110480-82-5
(S)-2-AMino-2-(naphthalen-1-yl)ethanol
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260216 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS110480-82-5
- Purity/Analytical Methods: >99.0%
110480-82-5 / (2S)-2-amino-2-naphthalen-1-ylethanol
(S)-2-Amino-2-(naphthalen-1-yl)ethan-1-ol | (2S)-2-amino-2-(naphthalen-1-yl)ethan-1-ol | MFCD09253738
Basic Information
CAS
110480-82-5
Multi CAS
Yes
Molecular Formula
C12H13NO
Molecular Weight
187.240000
Exact Mass
187.099714
SMILES
C1=CC=C2C(=C1)C=CC=C2[C@@H](CO)N
InChI
InChI=1S/C12H13NO/c13-12(8-14)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12,14H,8,13H2/t12-/m1/s1
InChIKey
GIJHQOMBLOZMEG-GFCCVEGCSA-N
Synonyms
(S)-2-Amino-2-(naphthalen-1-yl)ethan-1-ol
(2S)-2-amino-2-(naphthalen-1-yl)ethan-1-ol
MFCD09253738
(S)-2-AMino-2-(naphthalen-1-yl)ethanol
(2S)-2-amino-2-naphthylethan-1-ol
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
57.96
TPSA
46.25
LogP / Solubility
WLOGP
1.83
MLOGP
1.61
XLogP3
1.4
Consensus LogP
1.61
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.56
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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