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CAS 74587-12-5 3-Iodo-4-methoxyaniline molecular structure lightbox
CAS RN: 74587-12-5

3-Iodo-4-methoxyaniline

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250725 100g In stock Shanghai Inquiry
Batchno.20250222 10g In stock Shanghai Inquiry
Batchno.20250226 1g In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20250519 25g In stock Shanghai Inquiry
Batchno.20250720 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-184035
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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: 25g
  • Available purity: ＞97%
  • 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 74587-12-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shanghai Inquiry

74587-12-5 / 3-iodo-4-methoxyaniline

Standard CAS: 74587-12-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
74587-12-5
Multi CAS
No
Molecular Formula
C7H8InO
Molecular Weight
249.050000
Exact Mass
248.965060
InChI
InChI=1S/C7H8INO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,9H2,1H3
InChIKey
UHPNLGCUIGEZRB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.12
TPSA
35.25

LogP / Solubility

WLOGP
1.88
MLOGP
1.66
XLogP3
1.9
Consensus LogP
1.81
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
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)
-2.9

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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