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CAS 896-05-9 4′-(Dimethylamino)benzylidene-4-nitroaniline molecular structure lightbox
CAS RN: 896-05-9

4′-(Dimethylamino)benzylidene-4-nitroaniline

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251205 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-201617
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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 896-05-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

896-05-9 / N,N-dimethyl-4-[(4-nitrophenyl)iminomethyl]aniline

Standard CAS: 896-05-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
896-05-9
Multi CAS
No
Molecular Formula
C15H15N3O2
Molecular Weight
269.300000
Exact Mass
269.116427
InChI
InChI=1S/C15H15N3O2/c1-17(2)14-7-3-12(4-8-14)11-16-13-5-9-15(10-6-13)18(19)20/h3-11H,1-2H3
InChIKey
RLDPRVKBHPQKIK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
81.12
TPSA
58.74

LogP / Solubility

WLOGP
3.41
MLOGP
3.01
XLogP3
3.2
Consensus LogP
3.21
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.72
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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