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CAS 4408-47-3 N,N’-Bis(2-aminobenzal)ethylenediamine molecular structure lightbox
CAS RN: 4408-47-3

N,N’-Bis(2-aminobenzal)ethylenediamine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250129 200mg In stock Shanghai Inquiry
  • Product code: SSC-152124
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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 4408-47-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

4408-47-3 / 2-[2-[(2-aminophenyl)methylideneamino]ethyliminomethyl]aniline

Standard CAS: 4408-47-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4408-47-3
Multi CAS
No
Molecular Formula
C16H18N4
Molecular Weight
266.340000
Exact Mass
266.153147
InChI
InChI=1S/C16H18N4/c17-15-7-3-1-5-13(15)11-19-9-10-20-12-14-6-2-4-8-16(14)18/h1-8,11-12H,9-10,17-18H2
InChIKey
ZFIFWHZGMOGXDV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
86.63
TPSA
76.76

LogP / Solubility

WLOGP
2.39
MLOGP
2.11
XLogP3
1.4
Consensus LogP
1.97
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.97
Class (SILICOS-IT)
Poorly 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)
-2.65

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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