CAS RN: 1049737-29-2
2-(7-IODO-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.20250119 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1049737-29-2
- Purity/Analytical Methods: >99.0%
1049737-29-2 / 2-(7-iodo-2-methyl-1H-indol-3-yl)ethanamine;hydrochloride
2-(7-IODO-2-METHYL-1H-INDOL-3-YL)ETHANAMINE HYDROCHLORIDE | 2-(7-iodo-2-methyl-1H-indol-3-yl)ethanamine;hydrochloride | ZRB73729
Basic Information
CAS
1049737-29-2
Multi CAS
No
Molecular Formula
C11H14ClIN2
Molecular Weight
336.600000
Exact Mass
335.989020
SMILES
CC1=C(C2=C(N1)C(=CC=C2)I)CCN.Cl
InChI
InChI=1S/C11H13IN2.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
MDUDVMYVOKEOAE-UHFFFAOYSA-N
Synonyms
2-(7-IODO-2-METHYL-1H-INDOL-3-YL)ETHANAMINE HYDROCHLORIDE
2-(7-iodo-2-methyl-1H-indol-3-yl)ethanamine;hydrochloride
ZRB73729
AKOS001475928
SR-01000529354
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
75.76
TPSA
41.81
LogP / Solubility
WLOGP
3
MLOGP
2.66
XLogP3
3
Consensus LogP
2.89
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.58
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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