![CAS 328546-66-3 9-AMINO-1,2,3,4-TETRAHYDRO-BENZO[E][1,4]DIAZEPIN-5-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/328546-66-3.gif)
CAS RN: 328546-66-3
9-AMINO-1,2,3,4-TETRAHYDRO-BENZO[E][1,4]DIAZEPIN-5-ONE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250305 | 25mg / 100mg / 500mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS328546-66-3
- Purity/Analytical Methods: >99.0%
328546-66-3 / 9-amino-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
Basic Information
CAS
328546-66-3
Multi CAS
No
Molecular Formula
C9H11N3O
Molecular Weight
177.200000
Exact Mass
177.090212
InChI
InChI=1S/C9H11N3O/c10-7-3-1-2-6-8(7)11-4-5-12-9(6)13/h1-3,11H,4-5,10H2,(H,12,13)
InChIKey
XVHVPDMTBPMQAQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
H-bond acceptors
3
H-bond donors
3
Molar refractivity
51.68
TPSA
67.15
LogP / Solubility
WLOGP
0.42
MLOGP
0.37
XLogP3
0.3
Consensus LogP
0.36
Log S (ESOL)
-1.55
Class (ESOL)
Soluble
Log S (Ali)
-1.32
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.16
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)
-3.5
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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- Product Code: starshine_CAS328559-44-0
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