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CAS 214483-20-2 3-Quinolinecarbonitrile, 4-chloro-6-iodo- molecular structure lightbox
CAS RN: 214483-20-2

3-Quinolinecarbonitrile, 4-chloro-6-iodo-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260527 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS214483-20-2
  • Purity/Analytical Methods: >99.0%
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214483-20-2 / 4-chloro-6-iodoquinoline-3-carbonitrile

Standard CAS: 214483-20-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
214483-20-2
Multi CAS
No
Molecular Formula
C10H4ClIN2
Molecular Weight
314.510000
Exact Mass
313.910770
SMILES
C1=CC2=NC=C(C(=C2C=C1I)Cl)C#N
InChI
InChI=1S/C10H4ClIN2/c11-10-6(4-13)5-14-9-2-1-7(12)3-8(9)10/h1-3,5H
InChIKey
XNFXSSJHMYBWJY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
H-bond acceptors
2
Molar refractivity
64.19
TPSA
36.68

LogP / Solubility

WLOGP
3.36
MLOGP
2.97
XLogP3
3.2
Consensus LogP
3.18
Log S (ESOL)
-4.44
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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