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CAS 1934445-70-1 8-Quinolinecarboxylic acid, 3-iodo- molecular structure lightbox
CAS RN: 1934445-70-1

8-Quinolinecarboxylic acid, 3-iodo-

  • Product code: SSC-090824
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: >95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1934445-70-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

1934445-70-1 / 3-iodoquinoline-8-carboxylic acid

Standard CAS: 1934445-70-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1934445-70-1
Multi CAS
No
Molecular Formula
C10H6INO2
Molecular Weight
299.060000
Exact Mass
298.944330
SMILES
C1=CC2=CC(=CN=C2C(=C1)C(=O)O)I
InChI
InChI=1S/C10H6INO2/c11-7-4-6-2-1-3-8(10(13)14)9(6)12-5-7/h1-5H,(H,13,14)
InChIKey
ALDCJZVVFAFTCW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
61.42
TPSA
50.19

LogP / Solubility

WLOGP
2.54
MLOGP
2.24
XLogP3
2.4
Consensus LogP
2.39
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.84
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.83
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.74

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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