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CAS 16430-99-2 4-Methoxynaphthalen-1-aMine molecular structure lightbox
CAS RN: 16430-99-2

4-Methoxynaphthalen-1-aMine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260116 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS16430-99-2
  • Purity/Analytical Methods: >99.0%
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16430-99-2 / 4-methoxynaphthalen-1-amine

Standard CAS: 16430-99-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16430-99-2
Multi CAS
No
Molecular Formula
C11H11NO
Molecular Weight
173.210000
Exact Mass
173.084064
SMILES
COC1=CC=C(C2=CC=CC=C21)N
InChI
InChI=1S/C11H11NO/c1-13-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7H,12H2,1H3
InChIKey
JVMUPDOMGALPOW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.91
TPSA
35.25

LogP / Solubility

WLOGP
2.43
MLOGP
2.14
XLogP3
2.9
Consensus LogP
2.49
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.05

Drug-likeness / Medicinal Chemistry

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

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