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CAS 172368-00-2 3,5-Dibromo-4-iodo-tert-butylbenzene molecular structure lightbox
CAS RN: 172368-00-2

3,5-Dibromo-4-iodo-tert-butylbenzene

Product Availability

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260624 100mg In stock Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250216 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
Batchno.20250312 1g Out of stock Inquiry
Batchno.20260303 250mg In stock Shanghai, Shenzhen, Chengdu Inquiry
  • Product code: SSC-075790
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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 172368-00-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

172368-00-2 / 1,3-dibromo-5-tert-butyl-2-iodobenzene

Standard CAS: 172368-00-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
172368-00-2
Multi CAS
No
Molecular Formula
C10H11Br2I
Molecular Weight
417.910000
Exact Mass
417.825170
SMILES
CC(C)(C)C1=CC(=C(C(=C1)Br)I)Br
InChI
InChI=1S/C10H11Br2I/c1-10(2,3)6-4-7(11)9(13)8(12)5-6/h4-5H,1-3H3
InChIKey
CYKKRWMEGQTKIG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
Molar refractivity
73.26
TPSA
0.0000

LogP / Solubility

WLOGP
5.11
MLOGP
4.53
XLogP3
5.6
Consensus LogP
5.08
Log S (ESOL)
-5.99
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.68
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.62
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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