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CAS 1072-40-8 HEXAETHYLENE GLYCOL DIMETHYL ETHER molecular structure lightbox
CAS RN: 1072-40-8

HEXAETHYLENE GLYCOL DIMETHYL ETHER

  • Product code: SSC-008656
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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: 0.25g, 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 1072-40-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Beijing Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1072-40-8 / 1-methoxy-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane

2,5,8,11,14,17,20-Heptaoxahenicosane | 2,5,8,11,14,17,20-Heptaoxaheneicosane | DTXSID50147939

Standard CAS: 1072-40-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1072-40-8
Multi CAS
Yes
Molecular Formula
C14H30O7
Molecular Weight
310.380000
Exact Mass
310.199153
SMILES
COCCOCCOCCOCCOCCOCCOC
InChI
InChI=1S/C14H30O7/c1-15-3-5-17-7-9-19-11-13-21-14-12-20-10-8-18-6-4-16-2/h3-14H2,1-2H3
InChIKey
VMCIKMLQXFLKAX-UHFFFAOYSA-N
Synonyms
2,5,8,11,14,17,20-Heptaoxahenicosane 2,5,8,11,14,17,20-Heptaoxaheneicosane DTXSID50147939 RefChem:1060013 DTXCID1070430

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
1
Rotatable bonds
18
H-bond acceptors
7
Molar refractivity
77.85
TPSA
64.61

LogP / Solubility

WLOGP
0.36
MLOGP
0.33
XLogP3
-1
Consensus LogP
-0.1
Log S (ESOL)
-0.8
Class (ESOL)
Very soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-4.14
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.36

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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