![CAS 2411634-46-1 1-amino-4,5-dihydro-1H-benzo[d]azepin-2(3H)-one hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2411634-46-1.gif)
CAS RN: 2411634-46-1
1-amino-4,5-dihydro-1H-benzo[d]azepin-2(3H)-one 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.20260514 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2411634-46-1
- Purity/Analytical Methods: >99.0%
2411634-46-1 / 5-amino-1,2,3,5-tetrahydro-3-benzazepin-4-one;hydrochloride
Basic Information
CAS
2411634-46-1
Multi CAS
No
Molecular Formula
C10H13ClN2O
Molecular Weight
212.670000
Exact Mass
212.071641
SMILES
C1CNC(=O)C(C2=CC=CC=C21)N.Cl
InChI
InChI=1S/C10H12N2O.ClH/c11-9-8-4-2-1-3-7(8)5-6-12-10(9)13;/h1-4,9H,5-6,11H2,(H,12,13);1H
InChIKey
WVFGEUUETIEMTG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
57.33
TPSA
55.12
LogP / Solubility
WLOGP
0.78
MLOGP
0.69
XLogP3
0.78
Consensus LogP
0.75
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.69
Class (SILICOS-IT)
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)
-3.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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