CAS RN: 49681-43-8
(S)-N-METHYL-1,2,3,4-TETRAHYDRONAPHTHALEN-1-AMINE
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.20251030 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS49681-43-8
- Purity/Analytical Methods: >99.0%
49681-43-8 / N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
Basic Information
CAS
49681-43-8
Multi CAS
Yes
Molecular Formula
C11H15N
Molecular Weight
161.240000
Exact Mass
161.120449
InChI
InChI=1S/C11H15N/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7,11-12H,4,6,8H2,1H3/t11-/m0/s1
InChIKey
JQEUPNKUYMHYPW-NSHDSACASA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
51.18
TPSA
12.03
LogP / Solubility
WLOGP
2.28
MLOGP
2
XLogP3
2.1
Consensus LogP
2.13
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
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)
-2.08
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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