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CAS 893620-26-3 Quinoline, 2,4,8-trichloro-7-methoxy- molecular structure lightbox
CAS RN: 893620-26-3

Quinoline, 2,4,8-trichloro-7-methoxy-

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260126 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS893620-26-3
  • Purity/Analytical Methods: >99.0%
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893620-26-3 / 2,4,8-trichloro-7-methoxyquinoline

Standard CAS: 893620-26-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
893620-26-3
Multi CAS
No
Molecular Formula
C10H6CL3NO
Molecular Weight
262.500000
Exact Mass
260.951497
InChI
InChI=1S/C10H6Cl3NO/c1-15-7-3-2-5-6(11)4-8(12)14-10(5)9(7)13/h2-4H,1H3
InChIKey
FYRUHYCICHPKHQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
63.33
TPSA
22.12

LogP / Solubility

WLOGP
4.2
MLOGP
3.71
XLogP3
4.4
Consensus LogP
4.1
Log S (ESOL)
-4.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.98
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
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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