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CAS 74663-77-7 2,3-Bis(2,6-diisopropylphenylimino)butane molecular structure lightbox
CAS RN: 74663-77-7

2,3-Bis(2,6-diisopropylphenylimino)butane

  • Product code: SSC-184109
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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: ≥98%
  • 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 74663-77-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Beijing Inquiry

74663-77-7 / 2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine

Standard CAS: 74663-77-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
74663-77-7
Multi CAS
No
Molecular Formula
C28H40N2
Molecular Weight
404.600000
Exact Mass
404.319149
InChI
InChI=1S/C28H40N2/c1-17(2)23-13-11-14-24(18(3)4)27(23)29-21(9)22(10)30-28-25(19(5)6)15-12-16-26(28)20(7)8/h11-20H,1-10H3
InChIKey
YUFQUBWPYIPRHZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
134.78
TPSA
24.72

LogP / Solubility

WLOGP
9.07
MLOGP
8
XLogP3
7.8
Consensus LogP
8.29
Log S (ESOL)
-7.89
Class (ESOL)
Insoluble
Log S (Ali)
-9.42
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.65
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)
1.25

Drug-likeness / Medicinal Chemistry

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

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