![CAS 253185-43-2 1-amino-4,5-dihydro-1H-benzo[d]azepin-2(3H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/253185-43-2.gif)
CAS RN: 253185-43-2
1-amino-4,5-dihydro-1H-benzo[d]azepin-2(3H)-one
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.20250122 | 1g / 5g | Out of stock | 3-5 business days | Inquiry |
- Product code: starshine_CAS253185-43-2
- Purity/Analytical Methods: >99.0%
253185-43-2 / 5-amino-1,2,3,5-tetrahydro-3-benzazepin-4-one
Basic Information
CAS
253185-43-2
Multi CAS
No
Molecular Formula
C10H12N2O
Molecular Weight
176.210000
Exact Mass
176.094963
SMILES
C1CNC(=O)C(C2=CC=CC=C21)N
InChI
InChI=1S/C10H12N2O/c11-9-8-4-2-1-3-7(8)5-6-12-10(9)13/h1-4,9H,5-6,11H2,(H,12,13)
InChIKey
QWJOGPWJTLUXTM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
50.08
TPSA
55.12
LogP / Solubility
WLOGP
0.36
MLOGP
0.31
XLogP3
0.4
Consensus LogP
0.36
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-1.26
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.1
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)
-3.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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