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CAS 58373-59-4 N-(2,4-Dichlorophenyl)benzenamine molecular structure lightbox
CAS RN: 58373-59-4

N-(2,4-Dichlorophenyl)benzenamine

  • Product code: SSC-166609
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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: ≥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 58373-59-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

58373-59-4 / 2,4-dichloro-N-phenylaniline

Standard CAS: 58373-59-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
58373-59-4
Multi CAS
No
Molecular Formula
C12H9CL2N
Molecular Weight
238.110000
Exact Mass
237.011205
InChI
InChI=1S/C12H9Cl2N/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-8,15H
InChIKey
WRQKGHMNRXSQFK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
66.19
TPSA
12.03

LogP / Solubility

WLOGP
4.74
MLOGP
4.17
XLogP3
4.7
Consensus LogP
4.54
Log S (ESOL)
-4.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.38
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)
-0.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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