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CAS 32721-21-4 1-Iodo-2-methoxynaphthalene molecular structure lightbox
CAS RN: 32721-21-4

1-Iodo-2-methoxynaphthalene

  • Product code: SSC-138425
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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 32721-21-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

32721-21-4 / 1-iodo-2-methoxynaphthalene

Standard CAS: 32721-21-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
32721-21-4
Multi CAS
Yes
Molecular Formula
C11H9IO
Molecular Weight
284.090000
Exact Mass
283.969810
InChI
InChI=1S/C11H9IO/c1-13-10-7-6-8-4-2-3-5-9(8)11(10)12/h2-7H,1H3
InChIKey
XZAWOOAVCQUZBG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
63.22
TPSA
9.23

LogP / Solubility

WLOGP
3.45
MLOGP
3.05
XLogP3
3.8
Consensus LogP
3.43
Log S (ESOL)
-4.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.49
Class (SILICOS-IT)
Slightly 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

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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