CAS RN: 882188-87-6
1H-Indazole-1-carboxylic acid, 3-(hydroxyMethyl)-, 1,1-diMethylethyl 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.20250705 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS882188-87-6
- Purity/Analytical Methods: >99.0%
882188-87-6 / tert-butyl 3-(hydroxymethyl)indazole-1-carboxylate
Basic Information
CAS
882188-87-6
Multi CAS
No
Molecular Formula
C13H16N2O3
Molecular Weight
248.280000
Exact Mass
248.116092
InChI
InChI=1S/C13H16N2O3/c1-13(2,3)18-12(17)15-11-7-5-4-6-9(11)10(8-16)14-15/h4-7,16H,8H2,1-3H3
InChIKey
ZUTFTIKZPUYKBM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
67.29
TPSA
64.35
LogP / Solubility
WLOGP
2.31
MLOGP
2.04
XLogP3
2
Consensus LogP
2.12
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.59
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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