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CAS 1124-08-9 1,4-Diiodo-2,5-dimethylbenzene molecular structure lightbox
CAS RN: 1124-08-9

1,4-Diiodo-2,5-dimethylbenzene

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260425 1g In stock Shanghai Inquiry
Batchno.20251209 25g In stock Shanghai Inquiry
Batchno.20250214 5g In stock Shanghai Inquiry
  • Product code: SSC-012831
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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: ＞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 1124-08-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1124-08-9 / 1,4-diiodo-2,5-dimethylbenzene

1,4-diiodo-2,5-dimethylbenzene | DTXSID30371179 | RefChem:1053284

Standard CAS: 1124-08-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1124-08-9
Multi CAS
Yes
Molecular Formula
C8H8I2
Molecular Weight
357.960000
Exact Mass
357.871550
SMILES
CC1=CC(=C(C=C1I)C)I
InChI
InChI=1S/C8H8I2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,1-2H3
InChIKey
WJYYUEQVECTILJ-UHFFFAOYSA-N
Synonyms
1,4-diiodo-2,5-dimethylbenzene DTXSID30371179 RefChem:1053284 DTXCID40322213 Benzene,1,4-diiodo-2,5-dimethyl-

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
Molar refractivity
61.35
TPSA
0.0000

LogP / Solubility

WLOGP
3.51
MLOGP
3.11
XLogP3
4
Consensus LogP
3.54
Log S (ESOL)
-4.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.9
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.41

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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