CAS RN: 314019-11-9
(S)-6-METHOXY-1,2,3,4-TETRAHYDRONAPHTHALEN-1-AMINE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260603 | 250mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS314019-11-9
- Purity/Analytical Methods: >99.0%
314019-11-9 / 6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
Basic Information
CAS
314019-11-9
Multi CAS
Yes
Molecular Formula
C11H15NO
Molecular Weight
177.240000
Exact Mass
177.115364
InChI
InChI=1S/C11H15NO/c1-13-9-5-6-10-8(7-9)3-2-4-11(10)12/h5-7,11H,2-4,12H2,1H3/t11-/m0/s1
InChIKey
NWDPZDVSZWOAFS-NSHDSACASA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.86
TPSA
35.25
LogP / Solubility
WLOGP
2.03
MLOGP
1.78
XLogP3
1.5
Consensus LogP
1.77
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
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)
-2.36
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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