CAS RN: 831222-99-2

7-Methoxy-1-Methyl-1H-indazole-5-carbaldehyde

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Batchno.20260614 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS831222-99-2
  • Purity/Analytical Methods: >99.0%
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831222-99-2 / 7-methoxy-1-methylindazole-5-carbaldehyde

Standard CAS: 831222-99-2 Multi CAS: No

Basic Information

CAS
831222-99-2
Multi CAS
No
Molecular Formula
C10H10N2O2
Molecular Weight
190.200000
Exact Mass
190.074228
InChI
InChI=1S/C10H10N2O2/c1-12-10-8(5-11-12)3-7(6-13)4-9(10)14-2/h3-6H,1-2H3
InChIKey
IPRXIEAWLAXINA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
52.65
TPSA
44.12

LogP / Solubility

WLOGP
1.39
MLOGP
1.23
XLogP3
1.4
Consensus LogP
1.34
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.29
Class (SILICOS-IT)
Moderately 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)
-2.89

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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