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CAS 204203-17-8 Benzenamine, N,N’-(2,6-pyridinediyldiethylidyne)bis[2-(1,1-dimethylethyl)- molecular structure lightbox
CAS RN: 204203-17-8

Benzenamine, N,N’-(2,6-pyridinediyldiethylidyne)bis[2-(1,1-dimethylethyl)-

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260521 1g In stock Inquiry
Batchno.20250223 250mg In stock Inquiry
Batchno.20250731 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260225 100mg / 250mg / 1g / 5g / 10g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-096057
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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 204203-17-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

204203-17-8 / N-(2-tert-butylphenyl)-1-[6-[N-(2-tert-butylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine

Standard CAS: 204203-17-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
204203-17-8
Multi CAS
No
Molecular Formula
C29H35N3
Molecular Weight
425.600000
Exact Mass
425.283098
SMILES
CC(=NC1=CC=CC=C1C(C)(C)C)C2=NC(=CC=C2)C(=NC3=CC=CC=C3C(C)(C)C)C
InChI
InChI=1S/C29H35N3/c1-20(30-26-16-11-9-14-22(26)28(3,4)5)24-18-13-19-25(32-24)21(2)31-27-17-12-10-15-23(27)29(6,7)8/h9-19H,1-8H3
InChIKey
MDJXUNXXZJTMDW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
18
Fraction Csp3
0.34
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
138.26
TPSA
37.61

LogP / Solubility

WLOGP
7.96
MLOGP
7.03
XLogP3
7.9
Consensus LogP
7.63
Log S (ESOL)
-7.64
Class (ESOL)
Insoluble
Log S (Ali)
-8.8
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.51
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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