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CAS 25215-53-6 Monobutyl Phthalate Copper(II) Salt molecular structure lightbox
CAS RN: 25215-53-6

Monobutyl Phthalate Copper(II) Salt

  • Product code: SSC-120969
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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: 25g
  • 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 25215-53-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞95% 0 Out of Stock Hong Kong Inquiry

25215-53-6 / copper bis(2-butoxycarbonylbenzoate)

Standard CAS: 25215-53-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25215-53-6
Multi CAS
No
Molecular Formula
C24H26CuO8
Molecular Weight
506.000000
Exact Mass
505.092365
SMILES
CCCCOC(=O)C1=CC=CC=C1C(=O)[O-].CCCCOC(=O)C1=CC=CC=C1C(=O)[O-].[Cu+2]
InChI
InChI=1S/2C12H14O4.Cu/c2*1-2-3-8-16-12(15)10-7-5-4-6-9(10)11(13)14;/h2*4-7H,2-3,8H2,1H3,(H,13,14);/q;;+2/p-2
InChIKey
FQHSBEXCSPGVGY-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
10
H-bond acceptors
8
Molar refractivity
111.93
TPSA
132.86

LogP / Solubility

WLOGP
2.01
MLOGP
1.81
XLogP3
2.01
Consensus LogP
1.94
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.82
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.38

Drug-likeness / Medicinal Chemistry

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

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