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CAS 90322-84-2 7-methyl-1H-indazole-3-carbonitrile molecular structure lightbox
CAS RN: 90322-84-2

7-methyl-1H-indazole-3-carbonitrile

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Batchno.20250504 50mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS90322-84-2
  • Purity/Analytical Methods: >99.0%
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90322-84-2 / 7-methyl-1H-indazole-3-carbonitrile

Standard CAS: 90322-84-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
90322-84-2
Multi CAS
No
Molecular Formula
C9H7N3
Molecular Weight
157.170000
Exact Mass
157.063997
InChI
InChI=1S/C9H7N3/c1-6-3-2-4-7-8(5-10)11-12-9(6)7/h2-4H,1H3,(H,11,12)
InChIKey
NSVPZOOFKLCZAI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.11
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.55
TPSA
52.47

LogP / Solubility

WLOGP
1.74
MLOGP
1.53
XLogP3
2
Consensus LogP
1.76
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.13
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)
-2.44

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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