CAS RN: 885520-22-9
1H-Indol-6-amine,4-chloro-(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.20250605 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS885520-22-9
- Purity/Analytical Methods: >99.0%
885520-22-9 / 4-chloro-1H-indol-6-amine
Basic Information
CAS
885520-22-9
Multi CAS
No
Molecular Formula
C8H7CLN2
Molecular Weight
166.610000
Exact Mass
166.029776
InChI
InChI=1S/C8H7ClN2/c9-7-3-5(10)4-8-6(7)1-2-11-8/h1-4,11H,10H2
InChIKey
GOASCBLEUIJTBB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
2
Molar refractivity
47.72
TPSA
41.81
LogP / Solubility
WLOGP
2.4
MLOGP
2.11
XLogP3
2
Consensus LogP
2.17
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
Class (SILICOS-IT)
Moderately 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)
-2.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
