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CAS 665033-21-6 3-AMino-4-iodobenzonitrile molecular structure lightbox
CAS RN: 665033-21-6

3-AMino-4-iodobenzonitrile

Product Availability

Choose a grade to view its available package options.

9 package records9 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250205 100mg In stock Inquiry
Batchno.20250816 1g In stock Inquiry
Batchno.20250628 250mg In stock Inquiry
Batchno.20250612 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260228 100g In stock Shanghai Inquiry
Batchno.20260330 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260109 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251001 25g In stock Shanghai Inquiry
Batchno.20260202 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-176202
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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: 0.25g, 1g, 5g, 10g
  • 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 665033-21-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Hong Kong Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry
10g ＞97% 0 Out of Stock Shenzhen Inquiry

665033-21-6 / 3-amino-4-iodobenzonitrile

Standard CAS: 665033-21-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
665033-21-6
Multi CAS
No
Molecular Formula
C7H5In2
Molecular Weight
244.030000
Exact Mass
243.949750
InChI
InChI=1S/C7H5IN2/c8-6-2-1-5(4-9)3-7(6)10/h1-3H,10H2
InChIKey
JURDBYHADODTPF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.29
TPSA
49.81

LogP / Solubility

WLOGP
1.75
MLOGP
1.54
XLogP3
1.6
Consensus LogP
1.63
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
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)
-2.97

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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