CAS RN: 139409-34-0
2-BROMO-1H-INDOLE
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.20260612 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS139409-34-0
- Purity/Analytical Methods: >99.0%
139409-34-0 / 2-bromo-1H-indole
Basic Information
CAS
139409-34-0
Multi CAS
No
Molecular Formula
C8H6BrN
Molecular Weight
196.040000
Exact Mass
194.968360
SMILES
C1=CC=C2C(=C1)C=C(N2)Br
InChI
InChI=1S/C8H6BrN/c9-8-5-6-3-1-2-4-7(6)10-8/h1-5,10H
InChIKey
ZPRQXVPYQGBZON-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
9
H-bond donors
1
Molar refractivity
46
TPSA
15.79
LogP / Solubility
WLOGP
2.93
MLOGP
2.58
XLogP3
3.5
Consensus LogP
3
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
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)
-1.84
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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