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CAS 2489-05-6 Silver Behenate molecular structure lightbox
CAS RN: 2489-05-6

Silver Behenate

  • Product code: SSC-120035
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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: 5g
  • 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 2489-05-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

2489-05-6 / silver docosanoate

Standard CAS: 2489-05-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2489-05-6
Multi CAS
No
Molecular Formula
C22H43AgO2
Molecular Weight
447.400000
Exact Mass
446.231400
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].[Ag+]
InChI
InChI=1S/C22H44O2.Ag/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;/h2-21H2,1H3,(H,23,24);/q;+1/p-1
InChIKey
AQRYNYUOKMNDDV-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
0.95
Rotatable bonds
20
H-bond acceptors
2
Molar refractivity
103.02
TPSA
40.13

LogP / Solubility

WLOGP
6.56
MLOGP
5.8
XLogP3
6.56
Consensus LogP
6.31
Log S (ESOL)
-5.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.96
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.41
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.79

Drug-likeness / Medicinal Chemistry

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

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