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CAS 1189112-05-7 HO-PEG14-OH molecular structure lightbox
CAS RN: 1189112-05-7

HO-PEG14-OH

  • Product code: SSC-019135
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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: ＞97%
  • 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 1189112-05-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1189112-05-7 / 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

3,6,9,12,15,18,21,24,27,30,33,36,39-Tridecaoxahentetracontane-1,41-diol | DTXSID90217766 | RefChem:1066045

Standard CAS: 1189112-05-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1189112-05-7
Multi CAS
No
Molecular Formula
C28H58O15
Molecular Weight
634.800000
Exact Mass
634.377571
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O
InChI
InChI=1S/C28H58O15/c29-1-3-31-5-7-33-9-11-35-13-15-37-17-19-39-21-23-41-25-27-43-28-26-42-24-22-40-20-18-38-16-14-36-12-10-34-8-6-32-4-2-30/h29-30H,1-28H2
InChIKey
ILLKMACMBHTSHP-UHFFFAOYSA-N
Synonyms
3,6,9,12,15,18,21,24,27,30,33,36,39-Tridecaoxahentetracontane-1,41-diol DTXSID90217766 RefChem:1066045 DTXCID40140257 266-688-1

Computed Properties

Structural Parameters

Heavy atom count
43
Fraction Csp3
1
Rotatable bonds
40
H-bond acceptors
15
H-bond donors
2
Molar refractivity
154.82
TPSA
160.45

LogP / Solubility

WLOGP
-0.81
MLOGP
-0.66
XLogP3
-3.1
Consensus LogP
-1.52
Log S (ESOL)
-0.62
Class (ESOL)
Very soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.91
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)
-7.17

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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