CAS RN: 22190-40-5
1-acetyl-6-bromo-1,2,3,4-tetrahydroquinoline
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-106719
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: 1g, 5g, 25g, 10g, 0.1g, 0.25g, 100g
- Available purity: >95%
- Inventory rows with stock: 7
- 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 |
|---|---|---|---|---|
| 1g | >95% | 5 In Stock | Shanghai | Inquiry |
| 5g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 25g | >95% | 5 In Stock | Shanghai | Inquiry |
| 10g | >95% | 4 In Stock | Hong Kong | Inquiry |
| 0.1g | >95% | 2 In Stock | Shanghai | Inquiry |
| 0.25g | >95% | 2 In Stock | Hong Kong | Inquiry |
| 100g | >95% | 1 In Stock | Shenzhen | Inquiry |
22190-40-5 / 1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)ethanone
Basic Information
CAS
22190-40-5
Multi CAS
No
Molecular Formula
C11H12BrNO
Molecular Weight
254.120000
Exact Mass
253.010230
SMILES
CC(=O)N1CCCC2=C1C=CC(=C2)Br
InChI
InChI=1S/C11H12BrNO/c1-8(14)13-6-2-3-9-7-10(12)4-5-11(9)13/h4-5,7H,2-3,6H2,1H3
InChIKey
BHQKJGRWIRTURN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
H-bond acceptors
1
Molar refractivity
60.49
TPSA
20.31
LogP / Solubility
WLOGP
2.75
MLOGP
2.42
XLogP3
2.4
Consensus LogP
2.52
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
Rp-8-CPT-Cyclic AMP (sodium salt)
- CAS RN: 221905-35-7
- Product Code: starshine_CAS221905-35-7
- Purity/Analytical method: >99.0%
-
-
2-(4-Aminophenyl)quinoline
- CAS RN: 22191-97-5
- Product Code: starshine_CAS22191-97-5
- Purity/Analytical method: >99.0%
-
-
-
(2,2-DIMETHYL-[1,3]-DIOXOLAN-4-YL)-METHYLAMINE
- CAS RN: 22195-47-7
- Product Code: SSC-106776
![CAS 22195-47-7 (2,2-DIMETHYL-[1,3]-DIOXOLAN-4-YL)-METHYLAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/22195-47-7.gif)