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CAS 158669-26-2 4-Iodo-2-methoxypyridine-3-carboxaldehyde molecular structure lightbox
CAS RN: 158669-26-2

4-Iodo-2-methoxypyridine-3-carboxaldehyde

  • Product code: SSC-066928
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g, 100g
  • Available purity: ≥97%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 158669-26-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 5 In Stock Hong Kong Inquiry
5g ≥97% 4 In Stock Shenzhen Inquiry
10g ≥97% 0 Out of Stock Shanghai Inquiry
25g ≥97% 0 Out of Stock Shanghai Inquiry
100g ≥97% 0 Out of Stock Beijing Inquiry

158669-26-2 / 4-iodo-2-methoxypyridine-3-carbaldehyde

Standard CAS: 158669-26-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
158669-26-2
Multi CAS
No
Molecular Formula
C7H6INO2
Molecular Weight
263.030000
Exact Mass
262.944330
SMILES
COC1=NC=CC(=C1C=O)I
InChI
InChI=1S/C7H6INO2/c1-11-7-5(4-10)6(8)2-3-9-7/h2-4H,1H3
InChIKey
GNBKAOHTTIVAMT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
48.89
TPSA
39.19

LogP / Solubility

WLOGP
1.51
MLOGP
1.33
XLogP3
1.3
Consensus LogP
1.38
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.25

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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