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CAS 180624-08-2 4-bromo-2-iodo-6-nitroaniline molecular structure lightbox
CAS RN: 180624-08-2

4-bromo-2-iodo-6-nitroaniline

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251230 100mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260425 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251014 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250913 5g In stock Shanghai Inquiry
  • Product code: SSC-081596
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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: 0.25g, 1g, 5g, 25g, 10g, 100g
  • Available purity: >95%
  • Inventory rows with stock: 6
  • 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 180624-08-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 5 In Stock Beijing Inquiry
1g >95% 5 In Stock Beijing Inquiry
5g >95% 5 In Stock Hong Kong Inquiry
25g >95% 5 In Stock Shenzhen Inquiry
10g >95% 4 In Stock Beijing Inquiry
100g >95% 2 In Stock Beijing Inquiry

180624-08-2 / 4-bromo-2-iodo-6-nitroaniline

Standard CAS: 180624-08-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
180624-08-2
Multi CAS
No
Molecular Formula
C6H4BrIN2O2
Molecular Weight
342.920000
Exact Mass
341.850090
SMILES
C1=C(C=C(C(=C1[N+](=O)[O-])N)I)Br
InChI
InChI=1S/C6H4BrIN2O2/c7-3-1-4(8)6(9)5(2-3)10(11)12/h1-2H,9H2
InChIKey
CUVSESOKQSEEHQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.93
TPSA
69.16

LogP / Solubility

WLOGP
2.54
MLOGP
2.26
XLogP3
3
Consensus LogP
2.6
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.12
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)
-3.01

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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