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CAS 1422540-88-2 Acetylthio-PEG4-Alkyne molecular structure lightbox
CAS RN: 1422540-88-2

Acetylthio-PEG4-Alkyne

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260523 50mg Out of stock 15 business days Inquiry
  • Product code: SSC-053056
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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: ＞97%
  • 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 1422540-88-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Beijing Inquiry

1422540-88-2 / S-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl] ethanethioate

Standard CAS: 1422540-88-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1422540-88-2
Multi CAS
No
Molecular Formula
C13H22O5S
Molecular Weight
290.380000
Exact Mass
290.118795
SMILES
CC(=O)SCCOCCOCCOCCOCC#C
InChI
InChI=1S/C13H22O5S/c1-3-4-15-5-6-16-7-8-17-9-10-18-11-12-19-13(2)14/h1H,4-12H2,2H3
InChIKey
IOVXBDYSVBLUMS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.77
Rotatable bonds
13
H-bond acceptors
6
Molar refractivity
75.25
TPSA
53.99

LogP / Solubility

WLOGP
0.97
MLOGP
0.86
XLogP3
0.2
Consensus LogP
0.68
Log S (ESOL)
-1.39
Class (ESOL)
Soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.91
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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