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CAS 123158-75-8 4-Chloro-2-iodo-6-nitro-phenylaMine molecular structure lightbox
CAS RN: 123158-75-8

4-Chloro-2-iodo-6-nitro-phenylaMine

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250407 10g In stock Shanghai Inquiry
Batchno.20260616 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250310 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260109 25g In stock Shanghai Inquiry
Batchno.20250925 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-026763
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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: 5g
  • Available purity: ≥95%
  • 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 123158-75-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

123158-75-8 / 4-chloro-2-iodo-6-nitroaniline

Standard CAS: 123158-75-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
123158-75-8
Multi CAS
No
Molecular Formula
C6H4ClIN2O2
Molecular Weight
298.460000
Exact Mass
297.900600
SMILES
C1=C(C=C(C(=C1[N+](=O)[O-])N)I)Cl
InChI
InChI=1S/C6H4ClIN2O2/c7-3-1-4(8)6(9)5(2-3)10(11)12/h1-2H,9H2
InChIKey
WDQPNLNIJFQQRL-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
55.24
TPSA
69.16

LogP / Solubility

WLOGP
2.44
MLOGP
2.15
XLogP3
2.9
Consensus LogP
2.5
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.81

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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