![CAS 28797-48-0 5,11-Dihydro-11-chloroacetyl-6H-pyrido[2,3-b][1,4]benzodiazepine-6-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/28797-48-0.gif)
CAS RN: 28797-48-0
5,11-Dihydro-11-chloroacetyl-6H-pyrido[2,3-b][1,4]benzodiazepine-6-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.20250823 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS28797-48-0
- Purity/Analytical Methods: >99.0%
28797-48-0 / 11-(2-chloroacetyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Basic Information
CAS
28797-48-0
Multi CAS
Yes
Molecular Formula
C14H10CLN3O2
Molecular Weight
287.700000
Exact Mass
287.046154
InChI
InChI=1S/C14H10ClN3O2/c15-8-12(19)18-11-6-2-1-4-9(11)14(20)17-10-5-3-7-16-13(10)18/h1-7H,8H2,(H,17,20)
InChIKey
RMBZFWLMYVPNGI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
76.5
TPSA
62.3
LogP / Solubility
WLOGP
2.55
MLOGP
2.26
XLogP3
0.8
Consensus LogP
1.87
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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