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CAS 1488-42-2 DIPHENYLIODONIUM-2-CARBOXYLATE MONOHYDRATE, 98+% molecular structure lightbox
CAS RN: 1488-42-2

DIPHENYLIODONIUM-2-CARBOXYLATE MONOHYDRATE, 98+%

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260215 100g In stock Shanghai Inquiry
Batchno.20260401 10g In stock Shanghai Inquiry
Batchno.20260519 1g In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20251124 25g In stock Shanghai Inquiry
Batchno.20250806 5g In stock Shanghai, Tianjin, Chengdu Inquiry
  • Product code: SSC-058972
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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 1488-42-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Shanghai Inquiry

1488-42-2 / 2-phenyliodoniobenzoate

Standard CAS: 1488-42-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1488-42-2
Multi CAS
No
Molecular Formula
C13H9IO2
Molecular Weight
324.110000
Exact Mass
323.964730
SMILES
C1=CC=C(C=C1)[I+]C2=CC=CC=C2C(=O)[O-]
InChI
InChI=1S/C13H9IO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9H
InChIKey
LUGVQQXOGHCZNN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
54.61
TPSA
40.13

LogP / Solubility

WLOGP
-1.82
MLOGP
-1.59
XLogP3
4.5
Consensus LogP
0.36
Log S (ESOL)
-1.06
Class (ESOL)
Soluble
Log S (Ali)
-0.9
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.61
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.99

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 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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