CAS RN: 1566649-43-1
Methyl 5aMino1Methyl1Hindazole3carboxylate
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.20260218 | 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1566649-43-1
- Purity/Analytical Methods: >99.0%
1566649-43-1 / methyl 5-amino-1-methylindazole-3-carboxylate
Basic Information
CAS
1566649-43-1
Multi CAS
No
Molecular Formula
C10H11N3O2
Molecular Weight
205.210000
Exact Mass
205.085127
SMILES
CN1C2=C(C=C(C=C2)N)C(=N1)C(=O)OC
InChI
InChI=1S/C10H11N3O2/c1-13-8-4-3-6(11)5-7(8)9(12-13)10(14)15-2/h3-5H,11H2,1-2H3
InChIKey
IMAHFQIGWZJOBF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
56.47
TPSA
70.14
LogP / Solubility
WLOGP
0.94
MLOGP
0.83
XLogP3
1.1
Consensus LogP
0.96
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
Class (SILICOS-IT)
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)
-3.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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