CAS RN: 1049737-17-8
2-(7-CHLORO-2-METHYL-1H-INDOL-3-YL)ETHANAMINE 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.20251209 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1049737-17-8
- Purity/Analytical Methods: >99.0%
1049737-17-8 / 2-(7-chloro-2-methyl-1H-indol-3-yl)ethanamine;hydrochloride
2-(7-chloro-2-methyl-1H-indol-3-yl)ethanamine hydrochloride | 2-(7-Chloro-2-methyl-1h-indol-3-yl)ethanamine, HCl | MFCD03715035
Basic Information
CAS
1049737-17-8
Multi CAS
Yes
Molecular Formula
C11H14Cl2N2
Molecular Weight
245.140000
Exact Mass
244.053404
SMILES
CC1=C(C2=C(N1)C(=CC=C2)Cl)CCN.Cl
InChI
InChI=1S/C11H13ClN2.ClH/c1-7-8(5-6-13)9-3-2-4-10(12)11(9)14-7;/h2-4,14H,5-6,13H2,1H3;1H
InChIKey
ZXAHXIUMKCEDHL-UHFFFAOYSA-N
Synonyms
2-(7-chloro-2-methyl-1H-indol-3-yl)ethanamine hydrochloride
2-(7-Chloro-2-methyl-1h-indol-3-yl)ethanamine, HCl
MFCD03715035
2-(7-chloro-2-methyl-1H-indol-3-yl)ethanamine;hydrochloride
2-(7-chloro-2-methyl-1H-indol-3-yl)ethan-1-amine hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
2
Molar refractivity
68.05
TPSA
41.81
LogP / Solubility
WLOGP
3.05
MLOGP
2.69
XLogP3
3.05
Consensus LogP
2.93
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
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)
-2.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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