CAS RN: 855763-18-7
4-CHLORO-6,7-DICHLOROQUINOLINE
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.20250308 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS855763-18-7
- Purity/Analytical Methods: >99.0%
855763-18-7 / 4,6,7-trichloroquinoline
Basic Information
CAS
855763-18-7
Multi CAS
No
Molecular Formula
C9H4CL3N
Molecular Weight
232.500000
Exact Mass
230.940932
InChI
InChI=1S/C9H4Cl3N/c10-6-1-2-13-9-4-8(12)7(11)3-5(6)9/h1-4H
InChIKey
KGNQNRPJCCCDPE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
1
Molar refractivity
56.77
TPSA
12.89
LogP / Solubility
WLOGP
4.2
MLOGP
3.7
XLogP3
4.2
Consensus LogP
4.03
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.65
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)
-1.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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