CAS RN: 635712-40-2
1H-Indazole-5-carboxaldehyde, 7-methyl- (9CI)
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.20251016 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS635712-40-2
- Purity/Analytical Methods: >99.0%
635712-40-2 / 7-methyl-1H-indazole-5-carbaldehyde
Basic Information
CAS
635712-40-2
Multi CAS
No
Molecular Formula
C9H8N2O
Molecular Weight
160.170000
Exact Mass
160.063663
InChI
InChI=1S/C9H8N2O/c1-6-2-7(5-12)3-8-4-10-11-9(6)8/h2-5H,1H3,(H,10,11)
InChIKey
GJZLKBBRMQSNKG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.22
TPSA
45.75
LogP / Solubility
WLOGP
1.68
MLOGP
1.48
XLogP3
1.4
Consensus LogP
1.52
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
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)
-2.5
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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![CAS 635712-88-8 tert-butyl 7,7-diMethyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/635712-88-8.gif)
