CAS RN: 1156275-57-8
8-Bromo-4-chloro-2,6-dimethylquinoline
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260131 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1156275-57-8
- Purity/Analytical Methods: >99.0%
1156275-57-8 / 8-bromo-4-chloro-2,6-dimethylquinoline
8-Bromo-4-chloro-2,6-dimethylquinoline | DTXSID10656310 | RefChem:311829
Basic Information
CAS
1156275-57-8
Multi CAS
No
Molecular Formula
C11H9BrClN
Molecular Weight
270.550000
Exact Mass
268.960690
SMILES
CC1=CC2=C(C=C(N=C2C(=C1)Br)C)Cl
InChI
InChI=1S/C11H9BrClN/c1-6-3-8-10(13)5-7(2)14-11(8)9(12)4-6/h3-5H,1-2H3
InChIKey
XKEXCBVAJCIAMY-UHFFFAOYSA-N
Synonyms
8-Bromo-4-chloro-2,6-dimethylquinoline
DTXSID10656310
RefChem:311829
DTXCID70607060
Quinoline, 8-bromo-4-chloro-2,6-dimethyl-
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.18
H-bond acceptors
1
Molar refractivity
63.93
TPSA
12.89
LogP / Solubility
WLOGP
4.27
MLOGP
3.76
XLogP3
4.3
Consensus LogP
4.11
Log S (ESOL)
-4.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.96
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.34
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)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264, P270, P273, P301+P316, P321, P330, P405, and P501
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