![CAS 49799-48-6 1,5-Dihydro-benzo[b][1,4]diazepine-2,4-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/49799-48-6.gif)
CAS RN: 49799-48-6
1,5-Dihydro-benzo[b][1,4]diazepine-2,4-dione
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.20260614 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS49799-48-6
- Purity/Analytical Methods: >99.0%
49799-48-6 / 1,5-dihydro-1,5-benzodiazepine-2,4-dione
Basic Information
CAS
49799-48-6
Multi CAS
Yes
Molecular Formula
C9H8N2O2
Molecular Weight
176.170000
Exact Mass
176.058578
InChI
InChI=1S/C9H8N2O2/c12-8-5-9(13)11-7-4-2-1-3-6(7)10-8/h1-4H,5H2,(H,10,12)(H,11,13)
InChIKey
UNFHOAZOCIELCW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.11
H-bond acceptors
2
H-bond donors
2
Molar refractivity
48.32
TPSA
58.2
LogP / Solubility
WLOGP
0.97
MLOGP
0.85
XLogP3
0.7
Consensus LogP
0.84
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.61
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)
-3.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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