CAS RN: 57916-08-2
3-CHLORO-6-BROMO 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.20260621 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS57916-08-2
- Purity/Analytical Methods: >99.0%
57916-08-2 / 6-bromo-3-chloro-1H-indole
Basic Information
CAS
57916-08-2
Multi CAS
No
Molecular Formula
C8H5BRCLN
Molecular Weight
230.490000
Exact Mass
228.929390
InChI
InChI=1S/C8H5BrClN/c9-5-1-2-6-7(10)4-11-8(6)3-5/h1-4,11H
InChIKey
HNAPHNHPMKKVKB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond donors
1
Molar refractivity
51.01
TPSA
15.79
LogP / Solubility
WLOGP
3.58
MLOGP
3.16
XLogP3
3.4
Consensus LogP
3.38
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.13
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)
-1.58
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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