CAS RN: 467451-94-1
1H-Indole,5-bromo-7-ethyl-(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.20250222 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS467451-94-1
- Purity/Analytical Methods: >99.0%
467451-94-1 / 5-bromo-7-ethyl-1H-indole
Basic Information
CAS
467451-94-1
Multi CAS
No
Molecular Formula
BC10H10Rn
Molecular Weight
224.100000
Exact Mass
222.999660
InChI
InChI=1S/C10H10BrN/c1-2-7-5-9(11)6-8-3-4-12-10(7)8/h3-6,12H,2H2,1H3
InChIKey
SJJDMAUWJKZIJL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
1
H-bond donors
1
Molar refractivity
55.38
TPSA
15.79
LogP / Solubility
WLOGP
3.49
MLOGP
3.08
XLogP3
3.5
Consensus LogP
3.36
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.92
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.14
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)
-1.61
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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