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CAS 920739-11-3 [1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene](1,3-diphenyl-1,3-propanedionato)copper(I) molecular structure lightbox
CAS RN: 920739-11-3

[1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene](1,3-diphenyl-1,3-propanedionato)copper(I)

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251029 200mg In stock Shanghai Inquiry
Batchno.20250105 50mg In stock Shanghai, Shandong Inquiry
  • Product code: SSC-205648
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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 920739-11-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

920739-11-3 / [1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene](1,3-diphenyl-1,3-propanedionato)copper(I)

Standard CAS: 920739-11-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
920739-11-3
Multi CAS
Yes
Molecular Formula
C43H48N2O2U
Molecular Weight
676.400000
Exact Mass
675.301176
InChI
InChI=1S/C27H36N2.C15H12O2.Cu/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;/h9-16,18-21H,1-8H3;1-11,16H;/b;14-11-;
InChIKey
QEXNUQSCWMWURE-CKWHXWLXSA-N

Computed Properties

Structural Parameters

Heavy atom count
47
Aromatic heavy atom count
24
Fraction Csp3
0.29
Rotatable bonds
9
H-bond acceptors
4
H-bond donors
1
Molar refractivity
194.4
TPSA
43.78

LogP / Solubility

WLOGP
11.44
MLOGP
10.12
XLogP3
11.44
Consensus LogP
11
Log S (ESOL)
-11.02
Class (ESOL)
Insoluble
Log S (Ali)
-13.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.63
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.28

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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