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CAS 2055022-35-8 Propargyl-PEG10-alcohol molecular structure lightbox
CAS RN: 2055022-35-8

Propargyl-PEG10-alcohol

  • Product code: SSC-096648
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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: 0.25g
  • 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 2055022-35-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

2055022-35-8 / 2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

Standard CAS: 2055022-35-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2055022-35-8
Multi CAS
No
Molecular Formula
C21H40O10
Molecular Weight
452.500000
Exact Mass
452.262147
SMILES
C#CCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C21H40O10/c1-2-4-23-6-8-25-10-12-27-14-16-29-18-20-31-21-19-30-17-15-28-13-11-26-9-7-24-5-3-22/h1,22H,3-21H2
InChIKey
FBQGPFAGZKPHQT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Fraction Csp3
0.9
Rotatable bonds
27
H-bond acceptors
10
H-bond donors
1
Molar refractivity
113.29
TPSA
103.3

LogP / Solubility

WLOGP
-0.24
MLOGP
-0.18
XLogP3
-1.7
Consensus LogP
-0.71
Log S (ESOL)
-0.71
Class (ESOL)
Very soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.64
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
No
Log Kp (skin permeation)
-5.65

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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