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CAS 1602859-53-9 4-Chloro-7-fluoro-3-iodo-6-methoxy-quinoline molecular structure lightbox
CAS RN: 1602859-53-9

4-Chloro-7-fluoro-3-iodo-6-methoxy-quinoline

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250531 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1602859-53-9
  • Purity/Analytical Methods: >99.0%
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1602859-53-9 / 4-chloro-7-fluoro-3-iodo-6-methoxyquinoline

Standard CAS: 1602859-53-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1602859-53-9
Multi CAS
No
Molecular Formula
C10H6ClFINO
Molecular Weight
337.510000
Exact Mass
336.916670
SMILES
COC1=C(C=C2C(=C1)C(=C(C=N2)I)Cl)F
InChI
InChI=1S/C10H6ClFINO/c1-15-9-2-5-8(3-6(9)12)14-4-7(13)10(5)11/h2-4H,1H3
InChIKey
JOLRWGDFPFFFJG-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
65.98
TPSA
22.12

LogP / Solubility

WLOGP
3.64
MLOGP
3.22
XLogP3
3.5
Consensus LogP
3.45
Log S (ESOL)
-4.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.96
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.19

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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