CAS RN: 57817-04-6
1H-Indole,7-(1-methylethyl)-(9CI)
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.20260613 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS57817-04-6
- Purity/Analytical Methods: >99.0%
57817-04-6 / 7-propan-2-yl-1H-indole
Basic Information
CAS
57817-04-6
Multi CAS
No
Molecular Formula
C11H13N
Molecular Weight
159.230000
Exact Mass
159.104799
InChI
InChI=1S/C11H13N/c1-8(2)10-5-3-4-9-6-7-12-11(9)10/h3-8,12H,1-2H3
InChIKey
PRBCLRPANHSTBW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.27
Rotatable bonds
1
H-bond donors
1
Molar refractivity
52.39
TPSA
15.79
LogP / Solubility
WLOGP
3.29
MLOGP
2.89
XLogP3
3.3
Consensus LogP
3.16
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
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)
-1.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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- CAS RN: 57818-37-8
- Product Code: starshine_CAS57818-37-8
- Purity/Analytical method: >99.0%
