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CAS 1227515-22-1 Pyridine, 4-iodo-2-methoxy-3-methyl- molecular structure lightbox
CAS RN: 1227515-22-1

Pyridine, 4-iodo-2-methoxy-3-methyl-

  • Product code: SSC-025983
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥98%
  • Inventory rows with stock: 4
  • 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 1227515-22-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥98% 2 In Stock Shenzhen Inquiry
0.25g ≥98% 2 In Stock Shanghai Inquiry
1g ≥98% 2 In Stock Shenzhen Inquiry
5g ≥98% 2 In Stock Hong Kong Inquiry

1227515-22-1 / 4-iodo-2-methoxy-3-methylpyridine

Standard CAS: 1227515-22-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1227515-22-1
Multi CAS
No
Molecular Formula
C7H8INO
Molecular Weight
249.050000
Exact Mass
248.965060
SMILES
CC1=C(C=CN=C1OC)I
InChI
InChI=1S/C7H8INO/c1-5-6(8)3-4-9-7(5)10-2/h3-4H,1-2H3
InChIKey
WUMMUAHJMRIICX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
48.24
TPSA
22.12

LogP / Solubility

WLOGP
2
MLOGP
1.77
XLogP3
2.2
Consensus LogP
1.99
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.06
Class (SILICOS-IT)
Poorly 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)
-2.82

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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