CAS RN: 1788043-95-7
1-acetyl-6-methyl-1h-indazole-3-carbonitrile
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.20260425 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1788043-95-7
- Purity/Analytical Methods: >99.0%
1788043-95-7 / 1-acetyl-6-methylindazole-3-carbonitrile
Basic Information
CAS
1788043-95-7
Multi CAS
No
Molecular Formula
C11H9N3O
Molecular Weight
199.210000
Exact Mass
199.074562
SMILES
CC1=CC2=C(C=C1)C(=NN2C(=O)C)C#N
InChI
InChI=1S/C11H9N3O/c1-7-3-4-9-10(6-12)13-14(8(2)15)11(9)5-7/h3-5H,1-2H3
InChIKey
AUUUEICCTRRBNR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.18
H-bond acceptors
4
Molar refractivity
55.49
TPSA
58.68
LogP / Solubility
WLOGP
1.88
MLOGP
1.65
XLogP3
1.9
Consensus LogP
1.81
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
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)
-2.6
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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