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CAS 77855-76-6 PEG6-(CH2CO2H)2 molecular structure lightbox
CAS RN: 77855-76-6

PEG6-(CH2CO2H)2

  • Product code: SSC-187387
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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 77855-76-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

77855-76-6 / 2-[2-[2-[2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid

Standard CAS: 77855-76-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
77855-76-6
Multi CAS
No
Molecular Formula
C14H26O10
Molecular Weight
354.350000
Exact Mass
354.152597
InChI
InChI=1S/C14H26O10/c15-13(16)11-23-9-7-21-5-3-19-1-2-20-4-6-22-8-10-24-12-14(17)18/h1-12H2,(H,15,16)(H,17,18)
InChIKey
DCQRSABUSOYSIY-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
80.19
TPSA
129.98

LogP / Solubility

WLOGP
-0.74
MLOGP
-0.64
XLogP3
-1.5
Consensus LogP
-0.96
Log S (ESOL)
-0.31
Class (ESOL)
Very soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-3.63
Class (SILICOS-IT)
Poorly 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)
-5.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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