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CAS 2028281-89-0 m-PEG4-(CH2)8-phosphonic acid ethyl ester molecular structure lightbox
CAS RN: 2028281-89-0

m-PEG4-(CH2)8-phosphonic acid ethyl ester

  • Product code: SSC-095489
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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: 0.1g
  • 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 2028281-89-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞95% 0 Out of Stock Shenzhen Inquiry

2028281-89-0 / 1-diethoxyphosphoryl-8-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]octane

Standard CAS: 2028281-89-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2028281-89-0
Multi CAS
No
Molecular Formula
C19H41O7P
Molecular Weight
412.500000
Exact Mass
412.258991
SMILES
CCOP(=O)(CCCCCCCCOCCOCCOCCOC)OCC
InChI
InChI=1S/C19H41O7P/c1-4-25-27(20,26-5-2)19-11-9-7-6-8-10-12-22-15-16-24-18-17-23-14-13-21-3/h4-19H2,1-3H3
InChIKey
CNDORYGJXMHDBX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Fraction Csp3
1
Rotatable bonds
22
H-bond acceptors
7
Molar refractivity
107.76
TPSA
72.45

LogP / Solubility

WLOGP
4.29
MLOGP
3.8
XLogP3
2.1
Consensus LogP
3.4
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-6.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.54
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-2.19

Drug-likeness / Medicinal Chemistry

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

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