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CAS 73399-92-5 2-Naphthalenecarbonitrile, 5-amino- molecular structure lightbox
CAS RN: 73399-92-5

2-Naphthalenecarbonitrile, 5-amino-

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5 package records4 with current stock2 grade groups
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Batchno.20251220 50mg / 100mg / 250mg Out of stock 8-10 business days Inquiry
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Batchno.20251025 100mg In stock Shanghai Inquiry
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Batchno.20250327 250mg In stock Shanghai Inquiry
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  • Product code: starshine_CAS73399-92-5
  • Purity/Analytical Methods: >99.0%
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73399-92-5 / 5-aminonaphthalene-2-carbonitrile

Standard CAS: 73399-92-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
73399-92-5
Multi CAS
No
Molecular Formula
C11H8N2
Molecular Weight
168.190000
Exact Mass
168.068748
InChI
InChI=1S/C11H8N2/c12-7-8-4-5-10-9(6-8)2-1-3-11(10)13/h1-6H,13H2
InChIKey
XNCQQTJNDIPSKS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.08
TPSA
49.81

LogP / Solubility

WLOGP
2.29
MLOGP
2.01
XLogP3
2
Consensus LogP
2.1
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
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)
-2.12

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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