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CAS 2055014-98-5 Acid-PEG3-SS-PEG3-Acid molecular structure lightbox
CAS RN: 2055014-98-5

Acid-PEG3-SS-PEG3-Acid

  • Product code: SSC-096643
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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, 0.25g, 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 2055014-98-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

2055014-98-5 / 3-[2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethyldisulfanyl]ethoxy]ethoxy]ethoxy]propanoic acid

Standard CAS: 2055014-98-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2055014-98-5
Multi CAS
No
Molecular Formula
C18H34O10S2
Molecular Weight
474.600000
Exact Mass
474.159340
SMILES
C(COCCOCCOCCSSCCOCCOCCOCCC(=O)O)C(=O)O
InChI
InChI=1S/C18H34O10S2/c19-17(20)1-3-23-5-7-25-9-11-27-13-15-29-30-16-14-28-12-10-26-8-6-24-4-2-18(21)22/h1-16H2,(H,19,20)(H,21,22)
InChIKey
DLBWMEFQLZTRTD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Fraction Csp3
0.89
Rotatable bonds
25
H-bond acceptors
10
H-bond donors
2
Molar refractivity
114.34
TPSA
129.98

LogP / Solubility

WLOGP
1.42
MLOGP
1.28
XLogP3
-1
Consensus LogP
0.57
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.92
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)
-4.61

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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