CAS RN: 26346-39-4
2-(7-METHYL-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.20250118 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS26346-39-4
- Purity/Analytical Methods: >99.0%
26346-39-4 / 2-(7-methyl-1H-indol-3-yl)ethanamine;hydrochloride
Basic Information
CAS
26346-39-4
Multi CAS
No
Molecular Formula
C11H15ClN2
Molecular Weight
210.700000
Exact Mass
210.092376
SMILES
CC1=C2C(=CC=C1)C(=CN2)CCN.Cl
InChI
InChI=1S/C11H14N2.ClH/c1-8-3-2-4-10-9(5-6-12)7-13-11(8)10;/h2-4,7,13H,5-6,12H2,1H3;1H
InChIKey
XXXLVXQSFKCFAL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
2
Molar refractivity
63.04
TPSA
41.81
LogP / Solubility
WLOGP
2.4
MLOGP
2.11
XLogP3
2.4
Consensus LogP
2.3
Log S (ESOL)
-3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.26
Class (SILICOS-IT)
Poorly 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)
-2.3
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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