![CAS 21216-31-9 [2-(1H-INDOL-3-YL)-ETHYL]-HYDRAZINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/21216-31-9.gif)
CAS RN: 21216-31-9
[2-(1H-INDOL-3-YL)-ETHYL]-HYDRAZINE
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.20251129 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS21216-31-9
- Purity/Analytical Methods: >99.0%
21216-31-9 / 2-(1H-indol-3-yl)ethylhydrazine
Basic Information
CAS
21216-31-9
Multi CAS
No
Molecular Formula
C10H13N3
Molecular Weight
175.230000
Exact Mass
175.110947
SMILES
C1=CC=C2C(=C1)C(=CN2)CCNN
InChI
InChI=1S/C10H13N3/c11-13-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12-13H,5-6,11H2
InChIKey
IDDSMAGHZDFZBP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
3
Molar refractivity
54.19
TPSA
53.84
LogP / Solubility
WLOGP
1.17
MLOGP
1.03
XLogP3
1.3
Consensus LogP
1.17
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.13
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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