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CAS 23399-70-4 5-CHLORO-2-IODOTOLUENE molecular structure lightbox
CAS RN: 23399-70-4

5-CHLORO-2-IODOTOLUENE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250825 5g / 10g / 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-113130
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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: 100g
  • 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 23399-70-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Beijing Inquiry

23399-70-4 / 1-chloro-2-iodo-4-methylbenzene

Standard CAS: 23399-70-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23399-70-4
Multi CAS
No
Molecular Formula
C7H6ClI
Molecular Weight
252.480000
Exact Mass
251.920280
SMILES
CC1=CC(=C(C=C1)Cl)I
InChI
InChI=1S/C7H6ClI/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
InChIKey
ZZNUQVQAJVZRKW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.14
Molar refractivity
48.91
TPSA
0.0000

LogP / Solubility

WLOGP
3.25
MLOGP
2.87
XLogP3
3.6
Consensus LogP
3.24
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4
Class (SILICOS-IT)
Slightly 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)
-1.95

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

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