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CAS 116530-25-7 2-Amino-7-methylnaphthalene molecular structure lightbox
CAS RN: 116530-25-7

2-Amino-7-methylnaphthalene

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250804 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS116530-25-7
  • Purity/Analytical Methods: >99.0%
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116530-25-7 / 7-methylnaphthalen-2-amine

7-methylnaphthalen-2-amine | 2-Amino-7-methylnaphthalene | SCHEMBL13293000

Standard CAS: 116530-25-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
116530-25-7
Multi CAS
No
Molecular Formula
C11H11N
Molecular Weight
157.210000
Exact Mass
157.089149
SMILES
CC1=CC2=C(C=C1)C=CC(=C2)N
InChI
InChI=1S/C11H11N/c1-8-2-3-9-4-5-11(12)7-10(9)6-8/h2-7H,12H2,1H3
InChIKey
CWSYKWSBPNFANJ-UHFFFAOYSA-N
Synonyms
7-methylnaphthalen-2-amine 2-Amino-7-methylnaphthalene SCHEMBL13293000 DTXSID40629310 DB-083944

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
Fraction Csp3
0.09
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.1
TPSA
26.02

LogP / Solubility

WLOGP
2.73
MLOGP
2.4
XLogP3
2.6
Consensus LogP
2.58
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
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)
-1.74

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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