CAS RN: 911372-77-5
(1R)-6-METHOXY-1,2,3,4-TETRAHYDRONAPHTHALEN-1-AMINE HYDROCHLORIDE
Product Availability
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4 package records3 with current stock1 grade group
- Product code: starshine_CAS911372-77-5
- Purity/Analytical Methods: >99.0%
911372-77-5 / 6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
Basic Information
CAS
911372-77-5
Multi CAS
Yes
Molecular Formula
C11H16CLNO
Molecular Weight
213.700000
Exact Mass
213.092042
InChI
InChI=1S/C11H15NO.ClH/c1-13-9-5-6-10-8(7-9)3-2-4-11(10)12;/h5-7,11H,2-4,12H2,1H3;1H
InChIKey
DGIFWWPVOFOTLY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
60.11
TPSA
35.25
LogP / Solubility
WLOGP
2.45
MLOGP
2.16
XLogP3
2.45
Consensus LogP
2.35
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.21
Class (SILICOS-IT)
Poorly 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)
-2.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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