CAS RN: 21172-88-3
2-chloro-5,6,7,8-tetrahydroquinoline
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-101146
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, 0.25g, 10g, 25g, 1g, 5g
- Available purity: ≥97%
- Inventory rows with stock: 6
- 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% | 5 In Stock | Hong Kong | Inquiry |
| 0.25g | ≥97% | 5 In Stock | Shenzhen | Inquiry |
| 10g | ≥97% | 2 In Stock | Hong Kong | Inquiry |
| 25g | ≥97% | 2 In Stock | Hong Kong | Inquiry |
| 1g | ≥97% | 1 In Stock | Shanghai | Inquiry |
| 5g | ≥97% | 1 In Stock | Beijing | Inquiry |
21172-88-3 / 2-chloro-5,6,7,8-tetrahydroquinoline
Basic Information
CAS
21172-88-3
Multi CAS
No
Molecular Formula
C9H10ClN
Molecular Weight
167.630000
Exact Mass
167.050177
SMILES
C1CCC2=C(C1)C=CC(=N2)Cl
InChI
InChI=1S/C9H10ClN/c10-9-6-5-7-3-1-2-4-8(7)11-9/h5-6H,1-4H2
InChIKey
ZUXMRCHYHAWERW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.44
H-bond acceptors
1
Molar refractivity
45.89
TPSA
12.89
LogP / Solubility
WLOGP
2.61
MLOGP
2.3
XLogP3
3
Consensus LogP
2.64
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
Class (SILICOS-IT)
Moderately 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)
-1.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
IN1501, Tributyl(5”-hexyl-[2,2′:5′,2”-terthiophen]-5-yl)stannane
- CAS RN: 211737-41-6
- Product Code: starshine_CAS211737-41-6
- Purity/Analytical method: >99.0%
-
4-BROMO-1-METHYL-1 H-PYRAZOLE-3-CARBOXYLIC ACID M ETHYL ESTER
- CAS RN: 211738-66-8
- Product Code: SSC-101158
-
![CAS 211737-41-6 IN1501, Tributyl(5”-hexyl-[2,2′:5′,2”-terthiophen]-5-yl)stannane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/211737-41-6.gif)
