![CAS 1254473-74-9 5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1H-Indazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1254473-74-9.gif)
CAS RN: 1254473-74-9
5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1H-Indazole
- Product code: SSC-030189
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: >95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1254473-74-9 / tert-butyl-(1H-indazol-5-yloxy)-dimethylsilane
Basic Information
CAS
1254473-74-9
Multi CAS
No
Molecular Formula
C13H20N2OSi
Molecular Weight
248.400000
Exact Mass
248.134490
SMILES
CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1)NN=C2
InChI
InChI=1S/C13H20N2OSi/c1-13(2,3)17(4,5)16-11-6-7-12-10(8-11)9-14-15-12/h6-9H,1-5H3,(H,14,15)
InChIKey
TYQUQRGGXWJRAR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
73.92
TPSA
37.91
LogP / Solubility
WLOGP
3.95
MLOGP
3.48
XLogP3
3.95
Consensus LogP
3.79
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.79
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.43
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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![CAS 1254567-53-7 3-(1H-pyrrolo[2,3-b]pyridin-5-yl)propanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1254567-53-7.gif)
![CAS 1254567-75-3 5-cyclopropyl-1H-pyrrolo[2,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1254567-75-3.gif)
