CAS RN: 956268-33-0
7-broMoquinolin-4(1H)-one
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.20251116 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS956268-33-0
- Purity/Analytical Methods: >99.0%
956268-33-0 / 7-bromo-1H-quinolin-4-one
Basic Information
CAS
956268-33-0
Multi CAS
Yes
Molecular Formula
BC9H6ORn
Molecular Weight
224.050000
Exact Mass
222.963280
InChI
InChI=1S/C9H6BrNO/c10-6-1-2-7-8(5-6)11-4-3-9(7)12/h1-5H,(H,11,12)
InChIKey
GGCBEWNXEGDQAP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
1
H-bond donors
1
Molar refractivity
52.27
TPSA
32.86
LogP / Solubility
WLOGP
2.29
MLOGP
2.02
XLogP3
1.3
Consensus LogP
1.87
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.02
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
(S,S)-3-BOC-3,6-DIAZABICYCLO[3.2.0]HEPTANE
- CAS RN: 956276-42-9
- Product Code: starshine_CAS956276-42-9
- Purity/Analytical method: >99.0%
-
-
-
Hexahydro-6-hydroxy-1H-1,4-diazepine-1-carboxylic acid tert-butyl ester
- CAS RN: 956317-40-1
- Product Code: SSC-211143
-
methyl 2-(4-hydroxypiperidin-1-yl)acetate
- CAS RN: 956319-38-3
- Product Code: starshine_CAS956319-38-3
- Purity/Analytical method: >99.0%
![CAS 956276-42-9 (S,S)-3-BOC-3,6-DIAZABICYCLO[3.2.0]HEPTANE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/956276-42-9.gif)
