![CAS 209984-31-6 5-Methyl-5H-dibenz[b,d]azepine-6,7-dione 7-Oxime molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/209984-31-6.gif)
CAS RN: 209984-31-6
5-Methyl-5H-dibenz[b,d]azepine-6,7-dione 7-Oxime
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.20260615 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS209984-31-6
- Purity/Analytical Methods: >99.0%
209984-31-6 / (7Z)-7-hydroxyimino-5-methylbenzo[d][1]benzazepin-6-one
Basic Information
CAS
209984-31-6
Multi CAS
No
Molecular Formula
C15H12N2O2
Molecular Weight
252.270000
Exact Mass
252.089878
SMILES
CN1C2=CC=CC=C2C3=CC=CC=C3/C(=N/O)/C1=O
InChI
InChI=1S/C15H12N2O2/c1-17-13-9-5-4-7-11(13)10-6-2-3-8-12(10)14(16-19)15(17)18/h2-9,19H,1H3/b16-14-
InChIKey
QVRCJTODZXUHRW-PEZBUJJGSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
15
Fraction Csp3
0.07
H-bond acceptors
4
H-bond donors
1
Molar refractivity
74.04
TPSA
54.59
LogP / Solubility
WLOGP
1.98
MLOGP
1.75
XLogP3
3.3
Consensus LogP
2.34
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.94
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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