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CAS 1421933-33-6 S-acetyl-PEG3-acid molecular structure lightbox
CAS RN: 1421933-33-6

S-acetyl-PEG3-acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250223 100mg / 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: SSC-052961
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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: 0.1g
  • 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 1421933-33-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

1421933-33-6 / 3-[2-[2-(2-acetylsulfanylethoxy)ethoxy]ethoxy]propanoic acid

Standard CAS: 1421933-33-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1421933-33-6
Multi CAS
No
Molecular Formula
C11H20O6S
Molecular Weight
280.340000
Exact Mass
280.098060
SMILES
CC(=O)SCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C11H20O6S/c1-10(12)18-9-8-17-7-6-16-5-4-15-3-2-11(13)14/h2-9H2,1H3,(H,13,14)
InChIKey
HJNQYRKIZPTUQT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.82
Rotatable bonds
12
H-bond acceptors
6
H-bond donors
1
Molar refractivity
67.85
TPSA
82.06

LogP / Solubility

WLOGP
0.79
MLOGP
0.71
XLogP3
-0.3
Consensus LogP
0.4
Log S (ESOL)
-1.28
Class (ESOL)
Soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.58
Class (SILICOS-IT)
Poorly 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)
-3.87

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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