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CAS 13623-57-9 2-IMIDAZOLINE, 2-(1-NAPHTHYL)- molecular structure lightbox
CAS RN: 13623-57-9

2-IMIDAZOLINE, 2-(1-NAPHTHYL)-

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260314 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS13623-57-9
  • Purity/Analytical Methods: >99.0%
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13623-57-9 / 2-naphthalen-1-yl-4,5-dihydro-1H-imidazole

Standard CAS: 13623-57-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13623-57-9
Multi CAS
No
Molecular Formula
C13H12N2
Molecular Weight
196.250000
Exact Mass
196.100048
SMILES
C1CN=C(N1)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C13H12N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-7H,8-9H2,(H,14,15)
InChIKey
MDCXOIKCXHEYQK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.15
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
63.35
TPSA
24.39

LogP / Solubility

WLOGP
2.19
MLOGP
1.93
XLogP3
2.1
Consensus LogP
2.07
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
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)
-2.36

Drug-likeness / Medicinal Chemistry

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

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