CAS RN: 1368780-82-8
8-bromo-6-chloro-1,2,3,4-tetrahydroquinoline
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.20251124 | 100mg / 250mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1368780-82-8
- Purity/Analytical Methods: >99.0%
1368780-82-8 / 8-bromo-6-chloro-1,2,3,4-tetrahydroquinoline
Basic Information
CAS
1368780-82-8
Multi CAS
No
Molecular Formula
C9H9BrClN
Molecular Weight
246.530000
Exact Mass
244.960690
SMILES
C1CC2=C(C(=CC(=C2)Cl)Br)NC1
InChI
InChI=1S/C9H9BrClN/c10-8-5-7(11)4-6-2-1-3-12-9(6)8/h4-5,12H,1-3H2
InChIKey
FIGCYUUCCAJSQG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
1
H-bond donors
1
Molar refractivity
55.96
TPSA
12.03
LogP / Solubility
WLOGP
3.46
MLOGP
3.05
XLogP3
3.6
Consensus LogP
3.37
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.13
Class (SILICOS-IT)
Slightly 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)
-1.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
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