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CAS 14040-05-2 Bis(2,2,6,6-tetramethyl-3,5-heptanedionato)copper(II) molecular structure lightbox
CAS RN: 14040-05-2

Bis(2,2,6,6-tetramethyl-3,5-heptanedionato)copper(II)

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260623 100g In stock Shanghai Inquiry
Batchno.20250204 10g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250120 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260516 25g In stock Shanghai, Tianjin Inquiry
Batchno.20260110 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
  • Product code: SSC-051023
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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: 10g
  • 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 14040-05-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥97% 0 Out of Stock Beijing Inquiry

14040-05-2 / copper bis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate)

Standard CAS: 14040-05-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
14040-05-2
Multi CAS
No
Molecular Formula
C22H38CuO4
Molecular Weight
430.100000
Exact Mass
429.206607
SMILES
CC(/C(=C/C(=O)C(C)(C)C)/[O-])(C)C.CC(/C(=C/C(=O)C(C)(C)C)/[O-])(C)C.[Cu+2]
InChI
InChI=1S/2C11H20O2.Cu/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;/h2*7,12H,1-6H3;/q;;+2/p-2/b2*8-7-;
InChIKey
VCIKJQZFNVXWPF-ATMONBRVSA-L

Computed Properties

Structural Parameters

Heavy atom count
27
Fraction Csp3
0.73
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
104
TPSA
80.26

LogP / Solubility

WLOGP
3.78
MLOGP
3.36
XLogP3
3.78
Consensus LogP
3.64
Log S (ESOL)
-4.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.83
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.66

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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