CAS RN: 66766-07-2
2-Propanol, 1-aMino-3-(3,5-diMethylphenoxy)-
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.20260619 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS66766-07-2
- Purity/Analytical Methods: >99.0%
66766-07-2 / 1-amino-3-(3,5-dimethylphenoxy)propan-2-ol
Basic Information
CAS
66766-07-2
Multi CAS
No
Molecular Formula
C11H17NO2
Molecular Weight
195.260000
Exact Mass
195.125929
InChI
InChI=1S/C11H17NO2/c1-8-3-9(2)5-11(4-8)14-7-10(13)6-12/h3-5,10,13H,6-7,12H2,1-2H3
InChIKey
OLZWOGIOHDAKHD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
56.47
TPSA
55.48
LogP / Solubility
WLOGP
1
MLOGP
0.88
XLogP3
1.1
Consensus LogP
0.99
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.24
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)
-3.2
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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