CAS RN: 16105-24-1
3-Hydroxy-1-indazolecarboxylic acid ethyl ester
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.20260517 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS16105-24-1
- Purity/Analytical Methods: >99.0%
16105-24-1 / ethyl 3-oxo-2H-indazole-1-carboxylate
Basic Information
CAS
16105-24-1
Multi CAS
No
Molecular Formula
C10H10N2O3
Molecular Weight
206.200000
Exact Mass
206.069142
SMILES
CCOC(=O)N1C2=CC=CC=C2C(=O)N1
InChI
InChI=1S/C10H10N2O3/c1-2-15-10(14)12-8-6-4-3-5-7(8)9(13)11-12/h3-6H,2H2,1H3,(H,11,13)
InChIKey
RFZCKRFBTMJGTK-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
4
H-bond donors
1
Molar refractivity
54.98
TPSA
64.09
LogP / Solubility
WLOGP
1.33
MLOGP
1.17
XLogP3
1.3
Consensus LogP
1.27
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
Class (SILICOS-IT)
Moderately 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)
-3.03
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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