CAS RN: 1388027-41-5
8-Bromo-4-chloro-7-methylquinoline
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.20250301 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1388027-41-5
- Purity/Analytical Methods: >99.0%
1388027-41-5 / 8-bromo-4-chloro-7-methylquinoline
Basic Information
CAS
1388027-41-5
Multi CAS
No
Molecular Formula
C10H7BrClN
Molecular Weight
256.520000
Exact Mass
254.945040
SMILES
CC1=C(C2=NC=CC(=C2C=C1)Cl)Br
InChI
InChI=1S/C10H7BrClN/c1-6-2-3-7-8(12)4-5-13-10(7)9(6)11/h2-5H,1H3
InChIKey
NJFZDDUXYKTBJH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
1
Molar refractivity
59.19
TPSA
12.89
LogP / Solubility
WLOGP
3.96
MLOGP
3.49
XLogP3
3.9
Consensus LogP
3.78
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.61
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)
-1.47
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)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
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