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CAS 19591-17-4 2′-IODOACETANILIDE molecular structure lightbox
CAS RN: 19591-17-4

2′-IODOACETANILIDE

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250611 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260110 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250907 1g In stock Shanghai, Tianjin Inquiry
Batchno.20251017 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250202 5g Out of stock Inquiry
  • Product code: SSC-092613
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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 19591-17-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

19591-17-4 / N-(2-iodophenyl)acetamide

Standard CAS: 19591-17-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
19591-17-4
Multi CAS
No
Molecular Formula
C8H8INO
Molecular Weight
261.060000
Exact Mass
260.965060
SMILES
CC(=O)NC1=CC=CC=C1I
InChI
InChI=1S/C8H8INO/c1-6(11)10-8-5-3-2-4-7(8)9/h2-5H,1H3,(H,10,11)
InChIKey
BCJOKHQYEDXBSF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.46
TPSA
29.1

LogP / Solubility

WLOGP
2.25
MLOGP
1.99
XLogP3
1.5
Consensus LogP
1.91
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.34
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.72

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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