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CAS 1261236-58-1 7-aminoquinoline-3-carbonitrile molecular structure lightbox
CAS RN: 1261236-58-1

7-aminoquinoline-3-carbonitrile

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260609 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1261236-58-1
  • Purity/Analytical Methods: >99.0%
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1261236-58-1 / 7-aminoquinoline-3-carbonitrile

Standard CAS: 1261236-58-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1261236-58-1
Multi CAS
No
Molecular Formula
C10H7N3
Molecular Weight
169.180000
Exact Mass
169.063997
SMILES
C1=CC(=CC2=NC=C(C=C21)C#N)N
InChI
InChI=1S/C10H7N3/c11-5-7-3-8-1-2-9(12)4-10(8)13-6-7/h1-4,6H,12H2
InChIKey
DQWFUFLFXCXJPU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.87
TPSA
62.7

LogP / Solubility

WLOGP
1.69
MLOGP
1.48
XLogP3
0.9
Consensus LogP
1.36
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.16
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)
-2.55

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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