CAS RN: 887581-54-6
6-(tert-Butyl)-1H-indole
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250309 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-200363
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞95% | 0 Out of Stock | Shanghai | Inquiry |
887581-54-6 / 6-tert-butyl-1H-indole
Basic Information
CAS
887581-54-6
Multi CAS
No
Molecular Formula
C12H15N
Molecular Weight
173.250000
Exact Mass
173.120449
InChI
InChI=1S/C12H15N/c1-12(2,3)10-5-4-9-6-7-13-11(9)8-10/h4-8,13H,1-3H3
InChIKey
VNMQJWPTYZPZDM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
1
H-bond donors
1
Molar refractivity
57
TPSA
15.79
LogP / Solubility
WLOGP
3.47
MLOGP
3.05
XLogP3
4.6
Consensus LogP
3.71
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
Class (SILICOS-IT)
Poorly 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)
-1.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
Ethyl 6-(tert-butylamino)pyrimidine-4-carboxylate
- CAS RN: 2153472-95-6
- Product Code: SSC-103202
-
1H-Indole-4-carboxylic acid, 6-[[(1,1-diMethylethoxy)carbonyl]aMino]-
- CAS RN: 948015-63-2
- Product Code: LINH927376
-
-
tert-Butyl 6-(methylamino)-2-azaspiro[3.3]heptane-2-carboxylate
- CAS RN: 1824024-00-1
- Product Code: SSC-084107
-
6-(benzyloxy)-3,4-dihydronaphthalen-1(2H)-one
- CAS RN: 32263-70-0
- Product Code: SSC-137821
-
6-Amino-3-methyl-1-phenyl-4-(p-tolyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- CAS RN: 53316-59-9
- Product Code: LINA889062
![CAS 948015-63-2 1H-Indole-4-carboxylic acid, 6-[[(1,1-diMethylethoxy)carbonyl]aMino]- molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/948015-63-2.png)
![CAS 1824024-00-1 tert-Butyl 6-(methylamino)-2-azaspiro[3.3]heptane-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1824024-00-1.png)
![CAS 53316-59-9 6-Amino-3-methyl-1-phenyl-4-(p-tolyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/53316-59-9.png)