CAS RN: 691900-70-6
1-N-BOC-6-METHOXY-3-METHYL-1H-INDAZOLE
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.20260209 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS691900-70-6
- Purity/Analytical Methods: >99.0%
691900-70-6 / tert-butyl 6-methoxy-3-methylindazole-1-carboxylate
Basic Information
CAS
691900-70-6
Multi CAS
No
Molecular Formula
C14H18N2O3
Molecular Weight
262.300000
Exact Mass
262.131742
InChI
InChI=1S/C14H18N2O3/c1-9-11-7-6-10(18-5)8-12(11)16(15-9)13(17)19-14(2,3)4/h6-8H,1-5H3
InChIKey
CTFHZFPHCAXDFK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
72.65
TPSA
53.35
LogP / Solubility
WLOGP
3.14
MLOGP
2.77
XLogP3
3.2
Consensus LogP
3.04
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.09
Class (SILICOS-IT)
Slightly 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)
-2.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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