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CAS 61128-46-9 POLYETHERIMIDE molecular structure lightbox
CAS RN: 61128-46-9

POLYETHERIMIDE

  • Product code: SSC-169923
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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 61128-46-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

61128-46-9 / benzene-1,3-diamine;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione

Standard CAS: 61128-46-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
61128-46-9
Multi CAS
Yes
Molecular Formula
C37H28N2O8
Molecular Weight
628.600000
Exact Mass
628.184566
InChI
InChI=1S/C31H20O8.C6H8N2/c1-31(2,17-3-7-19(8-4-17)36-21-11-13-23-25(15-21)29(34)38-27(23)32)18-5-9-20(10-6-18)37-22-12-14-24-26(16-22)30(35)39-28(24)33;7-5-2-1-3-6(8)4-5/h3-16H,1-2H3;1-4H,7-8H2
InChIKey
VYLFLJXGGIUQKT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
47
Aromatic heavy atom count
30
Fraction Csp3
0.08
Rotatable bonds
6
H-bond acceptors
10
H-bond donors
2
Molar refractivity
172.8
TPSA
157.24

LogP / Solubility

WLOGP
7.07
MLOGP
6.27
XLogP3
7.07
Consensus LogP
6.8
Log S (ESOL)
-8.27
Class (ESOL)
Insoluble
Log S (Ali)
-9.82
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.33
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.54

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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