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CAS 50399-51-4 1,2,3,4-Tetrahydro-7-Methoxy-1-naphthalenaMine molecular structure lightbox
CAS RN: 50399-51-4

1,2,3,4-Tetrahydro-7-Methoxy-1-naphthalenaMine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250915 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS50399-51-4
  • Purity/Analytical Methods: >99.0%
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50399-51-4 / 7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

Standard CAS: 50399-51-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
50399-51-4
Multi CAS
No
Molecular Formula
C11H15NO
Molecular Weight
177.240000
Exact Mass
177.115364
InChI
InChI=1S/C11H15NO/c1-13-9-6-5-8-3-2-4-11(12)10(8)7-9/h5-7,11H,2-4,12H2,1H3
InChIKey
XVZQKVKVDOXQJG-UHFFFAOYSA-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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