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CAS 898784-08-2 2-(4-CHLOROPHENYL)-4′-IODOACETOPHENONE molecular structure lightbox
CAS RN: 898784-08-2

2-(4-CHLOROPHENYL)-4′-IODOACETOPHENONE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250918 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-202000
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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 898784-08-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

898784-08-2 / 2-(4-chlorophenyl)-1-(4-iodophenyl)ethanone

Standard CAS: 898784-08-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
898784-08-2
Multi CAS
No
Molecular Formula
C15H10LiO
Molecular Weight
356.580000
Exact Mass
355.946490
InChI
InChI=1S/C14H10ClIO/c15-12-5-1-10(2-6-12)9-14(17)11-3-7-13(16)8-4-11/h1-8H,9H2
InChIKey
VHSYBPGJDUDBQR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
78.65
TPSA
17.07

LogP / Solubility

WLOGP
4.37
MLOGP
3.86
XLogP3
4.5
Consensus LogP
4.24
Log S (ESOL)
-5.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.96
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.79

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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