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CAS 2055022-22-3 Propargyl-PEG10-t-butyl ester molecular structure lightbox
CAS RN: 2055022-22-3

Propargyl-PEG10-t-butyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250316 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-096647
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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 2055022-22-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

2055022-22-3 / tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

Standard CAS: 2055022-22-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2055022-22-3
Multi CAS
No
Molecular Formula
C28H52O12
Molecular Weight
580.700000
Exact Mass
580.345877
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC#C
InChI
InChI=1S/C28H52O12/c1-5-7-30-9-11-32-13-15-34-17-19-36-21-23-38-25-26-39-24-22-37-20-18-35-16-14-33-12-10-31-8-6-27(29)40-28(2,3)4/h1H,6-26H2,2-4H3
InChIKey
AQCJITMVJIOAQF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Fraction Csp3
0.89
Rotatable bonds
31
H-bond acceptors
12
Molar refractivity
147.48
TPSA
118.6

LogP / Solubility

WLOGP
1.52
MLOGP
1.38
XLogP3
-0.3
Consensus LogP
0.87
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-5.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-8.41
Class (SILICOS-IT)
Insoluble

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)
-5.18

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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