CAS RN: 831222-99-2
7-Methoxy-1-Methyl-1H-indazole-5-carbaldehyde
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
| Batchno.20260614 |
100mg / 250mg / 1g |
Out of stock |
8-10 business days | Inquiry |
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Product code:
starshine_CAS831222-99-2
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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