CAS RN: 191109-48-5
(S)-b-AMino-4-Methoxy-benzeneethanol
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.20260623 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS191109-48-5
- Purity/Analytical Methods: >99.0%
191109-48-5 / (2S)-2-amino-2-(4-methoxyphenyl)ethanol
Basic Information
CAS
191109-48-5
Multi CAS
No
Molecular Formula
C9H13NO2
Molecular Weight
167.200000
Exact Mass
167.094629
SMILES
COC1=CC=C(C=C1)[C@@H](CO)N
InChI
InChI=1S/C9H13NO2/c1-12-8-4-2-7(3-5-8)9(10)6-11/h2-5,9,11H,6,10H2,1H3/t9-/m1/s1
InChIKey
OZNSMUSCZYUFHD-SECBINFHSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
47.01
TPSA
55.48
LogP / Solubility
WLOGP
0.69
MLOGP
0.6
XLogP3
0.1
Consensus LogP
0.46
Log S (ESOL)
-1.48
Class (ESOL)
Soluble
Log S (Ali)
-1.43
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
Class (SILICOS-IT)
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)
-3.25
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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