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CAS 1817735-29-7 Propargyl-PEG4-sulfonic acid molecular structure lightbox
CAS RN: 1817735-29-7

Propargyl-PEG4-sulfonic acid

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251216 1g In stock Shanghai Inquiry
Batchno.20251101 250mg In stock Shanghai Inquiry
Batchno.20260122 250mg / 1g Out of stock 15 business days Inquiry
Batchno.20251209 5g In stock Shanghai Inquiry
  • Product code: SSC-082592
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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, 1g, 5g
  • 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 1817735-29-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

1817735-29-7 / 2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanesulfonic acid

Standard CAS: 1817735-29-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1817735-29-7
Multi CAS
No
Molecular Formula
C11H20O7S
Molecular Weight
296.340000
Exact Mass
296.092974
SMILES
C#CCOCCOCCOCCOCCS(=O)(=O)O
InChI
InChI=1S/C11H20O7S/c1-2-3-15-4-5-16-6-7-17-8-9-18-10-11-19(12,13)14/h1H,3-11H2,(H,12,13,14)
InChIKey
WSJYOZNIORDONJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.82
Rotatable bonds
13
H-bond acceptors
6
H-bond donors
1
Molar refractivity
68.52
TPSA
91.29

LogP / Solubility

WLOGP
-0.43
MLOGP
-0.36
XLogP3
-1.4
Consensus LogP
-0.73
Log S (ESOL)
-0.55
Class (ESOL)
Very soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.79
Class (SILICOS-IT)
Moderately soluble

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)
-4.83

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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