CAS RN: 94850-28-9
2-(5,7-DICHLORO-1H-INDOL-3-YL)-ETHYLAMINE HYDROCHLORIDE
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.20250402 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS94850-28-9
- Purity/Analytical Methods: >99.0%
94850-28-9 / 2-(5,7-dichloro-1H-indol-3-yl)ethanamine;hydrochloride
Basic Information
CAS
94850-28-9
Multi CAS
No
Molecular Formula
C10H11CL3N2
Molecular Weight
265.600000
Exact Mass
263.998781
InChI
InChI=1S/C10H10Cl2N2.ClH/c11-7-3-8-6(1-2-13)5-14-10(8)9(12)4-7;/h3-5,14H,1-2,13H2;1H
InChIKey
XSDPVTXXLWEISX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
2
Molar refractivity
68.33
TPSA
41.81
LogP / Solubility
WLOGP
3.4
MLOGP
3
XLogP3
3.4
Consensus LogP
3.27
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.45
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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