![CAS 328543-09-5 Imidazo[4,5,1-jk][1,4]benzodiazepin-7(4H)-one, 2-[4-[(dimethylamino)methyl]phenyl]-5,6-dihydro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/328543-09-5.gif)
CAS RN: 328543-09-5
Imidazo[4,5,1-jk][1,4]benzodiazepin-7(4H)-one, 2-[4-[(dimethylamino)methyl]phenyl]-5,6-dihydro-
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260624 | 5mg / 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS328543-09-5
- Purity/Analytical Methods: >99.0%
328543-09-5 / 2-[4-[(dimethylamino)methyl]phenyl]-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one
Basic Information
CAS
328543-09-5
Multi CAS
Yes
Molecular Formula
C19H20N4O
Molecular Weight
320.400000
Exact Mass
320.163711
InChI
InChI=1S/C19H20N4O/c1-22(2)12-13-6-8-14(9-7-13)18-21-16-5-3-4-15-17(16)23(18)11-10-20-19(15)24/h3-9H,10-12H2,1-2H3,(H,20,24)
InChIKey
SEKJSSBJKFLZIT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
15
Fraction Csp3
0.26
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
94.89
TPSA
50.16
LogP / Solubility
WLOGP
2.51
MLOGP
2.22
XLogP3
1.9
Consensus LogP
2.21
Log S (ESOL)
-3.67
Class (ESOL)
Poorly soluble
Log S (Ali)
-4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.18
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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![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)
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