CAS RN: 1554135-70-4
1-Ethyl-1H-indazole-3-carbaldehyde
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251114 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1554135-70-4
- Purity/Analytical Methods: >99.0%
1554135-70-4 / 1-ethylindazole-3-carbaldehyde
Basic Information
CAS
1554135-70-4
Multi CAS
No
Molecular Formula
C10H10N2O
Molecular Weight
174.200000
Exact Mass
174.079313
SMILES
CCN1C2=CC=CC=C2C(=N1)C=O
InChI
InChI=1S/C10H10N2O/c1-2-12-10-6-4-3-5-8(10)9(7-13)11-12/h3-7H,2H2,1H3
InChIKey
BBXKKUZTAGQDHL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
50.79
TPSA
34.89
LogP / Solubility
WLOGP
1.87
MLOGP
1.64
XLogP3
1.7
Consensus LogP
1.74
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
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)
-2.46
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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