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CAS 1349718-82-6 2-Bromo-4-chloro-5-iodotoluene molecular structure lightbox
CAS RN: 1349718-82-6

2-Bromo-4-chloro-5-iodotoluene

  • Product code: SSC-042813
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g, 25g, 1000g
  • Available purity: ≥97%
  • Inventory rows with stock: 13
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1349718-82-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 5 In Stock Shanghai Inquiry
0.1g ≥97% 5 In Stock Beijing Inquiry
0.25g -- 5 In Stock Shenzhen Inquiry
0.25g ≥97% 5 In Stock Shanghai Inquiry
1g -- 5 In Stock Beijing Inquiry
1g ≥97% 5 In Stock Beijing Inquiry
5g -- 5 In Stock Beijing Inquiry
5g ≥97% 5 In Stock Shanghai Inquiry
10g -- 5 In Stock Hong Kong Inquiry
10g ≥97% 5 In Stock Hong Kong Inquiry
25g -- 5 In Stock Beijing Inquiry
25g ≥97% 5 In Stock Hong Kong Inquiry
1000g -- 1 In Stock Beijing Inquiry

1349718-82-6 / 1-bromo-5-chloro-4-iodo-2-methylbenzene

Standard CAS: 1349718-82-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1349718-82-6
Multi CAS
No
Molecular Formula
C7H5BrClI
Molecular Weight
331.370000
Exact Mass
329.830790
SMILES
CC1=CC(=C(C=C1Br)Cl)I
InChI
InChI=1S/C7H5BrClI/c1-4-2-7(10)6(9)3-5(4)8/h2-3H,1H3
InChIKey
GYDUWILOVVPLKQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Molar refractivity
56.61
TPSA
0.0000

LogP / Solubility

WLOGP
4.02
MLOGP
3.55
XLogP3
4.3
Consensus LogP
3.96
Log S (ESOL)
-4.87
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.15
Class (SILICOS-IT)
Slightly soluble

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
No
Log Kp (skin permeation)
-1.89

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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