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CAS 16470-90-9 cinnoline-4-carbonitrile molecular structure lightbox
CAS RN: 16470-90-9

cinnoline-4-carbonitrile

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260104 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS16470-90-9
  • Purity/Analytical Methods: >99.0%
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16470-90-9 / cinnoline-4-carbonitrile

Standard CAS: 16470-90-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16470-90-9
Multi CAS
No
Molecular Formula
C9H5N3
Molecular Weight
155.160000
Exact Mass
155.048347
SMILES
C1=CC=C2C(=C1)C(=CN=N2)C#N
InChI
InChI=1S/C9H5N3/c10-5-7-6-11-12-9-4-2-1-3-8(7)9/h1-4,6H
InChIKey
SKALQBBFRXNOBD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
3
Molar refractivity
44.25
TPSA
49.57

LogP / Solubility

WLOGP
1.5
MLOGP
1.32
XLogP3
1.4
Consensus LogP
1.41
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.91
Class (SILICOS-IT)
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)
-2.6

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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