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CAS 1807539-10-1 Acid-PEG2-SS-PEG2-Acid molecular structure lightbox
CAS RN: 1807539-10-1

Acid-PEG2-SS-PEG2-Acid

  • Product code: SSC-082005
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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 1807539-10-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1807539-10-1 / 3-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethyldisulfanyl]ethoxy]ethoxy]propanoic acid

Standard CAS: 1807539-10-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1807539-10-1
Multi CAS
No
Molecular Formula
C14H26O8S2
Molecular Weight
386.500000
Exact Mass
386.106910
SMILES
C(COCCOCCSSCCOCCOCCC(=O)O)C(=O)O
InChI
InChI=1S/C14H26O8S2/c15-13(16)1-3-19-5-7-21-9-11-23-24-12-10-22-8-6-20-4-2-14(17)18/h1-12H2,(H,15,16)(H,17,18)
InChIKey
TZKZHEPGHNBGKD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.86
Rotatable bonds
19
H-bond acceptors
8
H-bond donors
2
Molar refractivity
92.7
TPSA
111.52

LogP / Solubility

WLOGP
1.38
MLOGP
1.24
XLogP3
-0.7
Consensus LogP
0.64
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.6
Class (SILICOS-IT)
Slightly 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)
-4.1

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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