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CAS 1239588-11-4 m-PEG13-acid molecular structure lightbox
CAS RN: 1239588-11-4

m-PEG13-acid

  • Product code: SSC-027597
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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: 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 1239588-11-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1239588-11-4 / methyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

Standard CAS: 1239588-11-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1239588-11-4
Multi CAS
No
Molecular Formula
C28H56O15
Molecular Weight
632.700000
Exact Mass
632.361921
SMILES
COC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C28H56O15/c1-31-28(30)2-4-32-6-8-34-10-12-36-14-16-38-18-20-40-22-24-42-26-27-43-25-23-41-21-19-39-17-15-37-13-11-35-9-7-33-5-3-29/h29H,2-27H2,1H3
InChIKey
OPWRRDAXKLEUKI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
43
Fraction Csp3
0.96
Rotatable bonds
38
H-bond acceptors
15
H-bond donors
1
Molar refractivity
153.55
TPSA
157.29

LogP / Solubility

WLOGP
-0.26
MLOGP
-0.18
XLogP3
-2.4
Consensus LogP
-0.95
Log S (ESOL)
-1.09
Class (ESOL)
Soluble
Log S (Ali)
-4.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-8.12
Class (SILICOS-IT)
Insoluble

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)
-6.76

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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