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CAS 4445-03-8 HO-PEG18-OH molecular structure lightbox
CAS RN: 4445-03-8

HO-PEG18-OH

  • Product code: SSC-152457
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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 4445-03-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

4445-03-8 / 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

Standard CAS: 4445-03-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4445-03-8
Multi CAS
Yes
Molecular Formula
C36H74O19
Molecular Weight
811.000000
Exact Mass
810.482430
InChI
InChI=1S/C36H74O19/c37-1-3-39-5-7-41-9-11-43-13-15-45-17-19-47-21-23-49-25-27-51-29-31-53-33-35-55-36-34-54-32-30-52-28-26-50-24-22-48-20-18-46-16-14-44-12-10-42-8-6-40-4-2-38/h37-38H,1-36H2
InChIKey
WPTOGBNHVWOHQK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
55
Fraction Csp3
1
Rotatable bonds
52
H-bond acceptors
19
H-bond donors
2
Molar refractivity
198.09
TPSA
197.37

LogP / Solubility

WLOGP
-0.75
MLOGP
-0.58
XLogP3
-3.7
Consensus LogP
-1.68
Log S (ESOL)
-0.97
Class (ESOL)
Very soluble
Log S (Ali)
-5.67
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-10.55
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-8.2

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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