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CAS 23008-56-2 N-(4-CHLOROPHENYL)-2-NITROBENZENAMINE molecular structure lightbox
CAS RN: 23008-56-2

N-(4-CHLOROPHENYL)-2-NITROBENZENAMINE

  • Product code: SSC-111764
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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 23008-56-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

23008-56-2 / N-(4-chlorophenyl)-2-nitroaniline

Standard CAS: 23008-56-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23008-56-2
Multi CAS
No
Molecular Formula
C12H9ClN2O2
Molecular Weight
248.660000
Exact Mass
248.035255
SMILES
C1=CC=C(C(=C1)NC2=CC=C(C=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C12H9ClN2O2/c13-9-5-7-10(8-6-9)14-11-3-1-2-4-12(11)15(16)17/h1-8,14H
InChIKey
RCLKXSIRDRWUGX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
67.83
TPSA
55.17

LogP / Solubility

WLOGP
3.99
MLOGP
3.52
XLogP3
4.3
Consensus LogP
3.94
Log S (ESOL)
-4.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.95
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.4

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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