![CAS 253324-90-2 (Z)-1-(hydroxyiMino)-3-Methyl-4,5-dihydro-1H-benzo[d]azepin-2(3H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/253324-90-2.gif)
CAS RN: 253324-90-2
(Z)-1-(hydroxyiMino)-3-Methyl-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.20250420 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS253324-90-2
- Purity/Analytical Methods: >99.0%
253324-90-2 / (5E)-5-hydroxyimino-3-methyl-1,2-dihydro-3-benzazepin-4-one
Basic Information
CAS
253324-90-2
Multi CAS
No
Molecular Formula
C11H12N2O2
Molecular Weight
204.220000
Exact Mass
204.089878
SMILES
CN1CCC2=CC=CC=C2/C(=N\O)/C1=O
InChI
InChI=1S/C11H12N2O2/c1-13-7-6-8-4-2-3-5-9(8)10(12-15)11(13)14/h2-5,15H,6-7H2,1H3/b12-10-
InChIKey
AGMHHPHTPYMULW-BENRWUELSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.27
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.11
TPSA
52.9
LogP / Solubility
WLOGP
0.88
MLOGP
0.77
XLogP3
2.1
Consensus LogP
1.25
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.72
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)
-3.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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