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CAS 834869-04-4 7-Methoxyimidazo[1,2-a]pyridine-8-carbonitrile molecular structure lightbox
CAS RN: 834869-04-4

7-Methoxyimidazo[1,2-a]pyridine-8-carbonitrile

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260503 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS834869-04-4
  • Purity/Analytical Methods: >99.0%
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834869-04-4 / 7-methoxyimidazo[1,2-a]pyridine-8-carbonitrile

Standard CAS: 834869-04-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
834869-04-4
Multi CAS
No
Molecular Formula
C9H7N3O
Molecular Weight
173.170000
Exact Mass
173.058912
InChI
InChI=1S/C9H7N3O/c1-13-8-2-4-12-5-3-11-9(12)7(8)6-10/h2-5H,1H3
InChIKey
LILFJNZTHRZHSK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
46.46
TPSA
50.32

LogP / Solubility

WLOGP
1.21
MLOGP
1.07
XLogP3
1.5
Consensus LogP
1.26
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.86
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
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.91

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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