![CAS 92260-81-6 5,6-Dihydroimidazo[4,5,1-jk][1]benzazepine-2,7(1H,4H)-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/92260-81-6.gif)
CAS RN: 92260-81-6
5,6-Dihydroimidazo[4,5,1-jk][1]benzazepine-2,7(1H,4H)-dione
- Product code: SSC-205828
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
92260-81-6 / 1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-2,9-dione
Basic Information
CAS
92260-81-6
Multi CAS
Yes
Molecular Formula
C11H10N2O2
Molecular Weight
202.210000
Exact Mass
202.074228
InChI
InChI=1S/C11H10N2O2/c14-9-5-2-6-13-10-7(9)3-1-4-8(10)12-11(13)15/h1,3-4H,2,5-6H2,(H,12,15)
InChIKey
QDMYVAGJPVQRSQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.27
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.12
TPSA
54.86
LogP / Solubility
WLOGP
1.31
MLOGP
1.15
XLogP3
0.6
Consensus LogP
1.02
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.06
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)
-3.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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