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CAS 457065-49-5 3-Methoxy-5,5,8,8-tetraMethyl-5,6,7,8-tetrahydronaphthalen-2-aMine molecular structure lightbox
CAS RN: 457065-49-5

3-Methoxy-5,5,8,8-tetraMethyl-5,6,7,8-tetrahydronaphthalen-2-aMine

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4 package records0 with current stock2 grade groups
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Batchno.20250519 100mg Out of stock Inquiry
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  • Product code: starshine_CAS457065-49-5
  • Purity/Analytical Methods: >99.0%
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457065-49-5 / 3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine

Standard CAS: 457065-49-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
457065-49-5
Multi CAS
No
Molecular Formula
C15H23NO
Molecular Weight
233.350000
Exact Mass
233.177964
InChI
InChI=1S/C15H23NO/c1-14(2)6-7-15(3,4)11-9-13(17-5)12(16)8-10(11)14/h8-9H,6-7,16H2,1-5H3
InChIKey
ABKXDOMMAKFRNB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
72.69
TPSA
35.25

LogP / Solubility

WLOGP
3.63
MLOGP
3.2
XLogP3
4.3
Consensus LogP
3.71
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.31
Class (SILICOS-IT)
Slightly 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)
-1.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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