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CAS 14722-38-4 4-methylcinnoline molecular structure lightbox
CAS RN: 14722-38-4

4-methylcinnoline

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260330 1g Out of stock 15 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250329 1g Out of stock Inquiry
  • Product code: starshine_CAS14722-38-4
  • Purity/Analytical Methods: >99.0%
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14722-38-4 / 4-methylcinnoline

Standard CAS: 14722-38-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14722-38-4
Multi CAS
No
Molecular Formula
C9H8N2
Molecular Weight
144.170000
Exact Mass
144.068748
SMILES
CC1=CN=NC2=CC=CC=C12
InChI
InChI=1S/C9H8N2/c1-7-6-10-11-9-5-3-2-4-8(7)9/h2-6H,1H3
InChIKey
KREYIEXCOLYLAV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
10
Fraction Csp3
0.11
H-bond acceptors
2
Molar refractivity
44.28
TPSA
25.78

LogP / Solubility

WLOGP
1.94
MLOGP
1.7
XLogP3
1.3
Consensus LogP
1.65
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.21
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)
-2.22

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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