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CAS 1252046-13-1 2-BROMO-5-IODOBENZONITRILE molecular structure lightbox
CAS RN: 1252046-13-1

2-BROMO-5-IODOBENZONITRILE

Product Availability

Choose a grade to view its available package options.

11 package records11 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251129 1g In stock Inquiry
Batchno.20251104 250mg In stock Inquiry
Batchno.20260120 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250131 100g In stock Shanghai Inquiry
Batchno.20251225 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20251017 10g In stock Shanghai, Tianjin Inquiry
Batchno.20251028 1g In stock Shanghai, Chengdu Inquiry
Batchno.20260111 1g / 5g / 10g / 25g Confirm by inquiry Shanghai 8-10 business days Inquiry
Batchno.20251122 250mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260216 25g In stock Shanghai, Tianjin Inquiry
Batchno.20260428 5g In stock Shanghai, Tianjin, Wuhan Inquiry
  • Product code: SSC-029938
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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: 0.1g, 0.25g, 1g, 5g
  • 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 1252046-13-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 0 Out of Stock Shanghai Inquiry
0.25g ≥97% 0 Out of Stock Shanghai Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry
5g ≥97% 0 Out of Stock Hong Kong Inquiry

1252046-13-1 / 2-bromo-5-iodobenzonitrile

Standard CAS: 1252046-13-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1252046-13-1
Multi CAS
No
Molecular Formula
C7H3BrIN
Molecular Weight
307.910000
Exact Mass
306.849360
SMILES
C1=CC(=C(C=C1I)C#N)Br
InChI
InChI=1S/C7H3BrIN/c8-7-2-1-6(9)3-5(7)4-10/h1-3H
InChIKey
KXTNUMXYGMBTSV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
51.57
TPSA
23.79

LogP / Solubility

WLOGP
2.93
MLOGP
2.59
XLogP3
3
Consensus LogP
2.84
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.09
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.52

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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