CAS RN: 220488-05-1
ETHYL 1-METHYL-1H-INDAZOLE-3-CARBOXYLATE
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.20250426 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS220488-05-1
- Purity/Analytical Methods: >99.0%
220488-05-1 / ethyl 1-methylindazole-3-carboxylate
Basic Information
CAS
220488-05-1
Multi CAS
No
Molecular Formula
C11H12N2O2
Molecular Weight
204.220000
Exact Mass
204.089878
SMILES
CCOC(=O)C1=NN(C2=CC=CC=C21)C
InChI
InChI=1S/C11H12N2O2/c1-3-15-11(14)10-8-6-4-5-7-9(8)13(2)12-10/h4-7H,3H2,1-2H3
InChIKey
BFBXCNIZWSOGIE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
56.67
TPSA
44.12
LogP / Solubility
WLOGP
1.75
MLOGP
1.54
XLogP3
2.1
Consensus LogP
1.8
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
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)
-2.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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