CAS RN: 1951439-34-1
3-(azetidin-3-yl)-1H-indole 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.20250622 | 25mg / 50mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1951439-34-1
- Purity/Analytical Methods: >99.0%
1951439-34-1 / 3-(azetidin-3-yl)-1H-indole;hydrochloride
Basic Information
CAS
1951439-34-1
Multi CAS
No
Molecular Formula
C11H13ClN2
Molecular Weight
208.690000
Exact Mass
208.076726
SMILES
C1C(CN1)C2=CNC3=CC=CC=C32.Cl
InChI
InChI=1S/C11H12N2.ClH/c1-2-4-11-9(3-1)10(7-13-11)8-5-12-6-8;/h1-4,7-8,12-13H,5-6H2;1H
InChIKey
XPVRGQVYLWYZLD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.27
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
61.16
TPSA
27.82
LogP / Solubility
WLOGP
2.28
MLOGP
2
XLogP3
2.28
Consensus LogP
2.19
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.03
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)
-2.38
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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