CAS RN: 76228-06-3
6-Bromo-2,3-Dihydroquinolin-4(1H)-One
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-185670
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 10g, 0.25g, 1g, 5g
- Available purity: >97%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >97% | 2 In Stock | Shanghai | Inquiry |
| 10g | >97% | 2 In Stock | Shenzhen | Inquiry |
| 0.25g | >97% | 1 In Stock | Hong Kong | Inquiry |
| 1g | >97% | 0 Out of Stock | Shanghai | Inquiry |
| 5g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
76228-06-3 / 6-bromo-2,3-dihydro-1H-quinolin-4-one
Basic Information
CAS
76228-06-3
Multi CAS
No
Molecular Formula
BC9H8ORn
Molecular Weight
226.070000
Exact Mass
224.978930
InChI
InChI=1S/C9H8BrNO/c10-6-1-2-8-7(5-6)9(12)3-4-11-8/h1-2,5,11H,3-4H2
InChIKey
WAFBCQPOMZIGTJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.58
TPSA
29.1
LogP / Solubility
WLOGP
2.45
MLOGP
2.16
XLogP3
2.1
Consensus LogP
2.24
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.16
Class (SILICOS-IT)
Poorly 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)
-2.36
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
-
-
4H-1-BENZOPYRAN-4-ONE, 2,3-DIHYDRO-7-HYDROXY-
- CAS RN: 76240-27-2
- Product Code: SSC-185689
-
-
Piptocarphin A
- CAS RN: 76248-63-0
- Product Code: starshine_CAS76248-63-0
- Purity/Analytical method: >99.0%
-
MONOMETHACYLAMIDEETHYLENEDIAMINE HCL
- CAS RN: 76259-32-0
- Product Code: starshine_CAS76259-32-0
- Purity/Analytical method: >99.0%
-
ETHYL 2-AMINO-4,5,6,7-TETRAHYDRO-1,3-BENZOTHIAZOLE-4-CARBOXYLATE
- CAS RN: 76263-11-1
- Product Code: SSC-185695
