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CAS 25961-89-1 TRIETHYLENE GLYCOL MONOHEXYL ETHER molecular structure lightbox
CAS RN: 25961-89-1

TRIETHYLENE GLYCOL MONOHEXYL ETHER

  • Product code: SSC-122695
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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
  • 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 25961-89-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞95% 0 Out of Stock Hong Kong Inquiry

25961-89-1 / 2-[2-(2-hexoxyethoxy)ethoxy]ethanol

Standard CAS: 25961-89-1 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
25961-89-1
Multi CAS
No
Molecular Formula
C12H26O4
Molecular Weight
234.330000
Exact Mass
234.183109
SMILES
CCCCCCOCCOCCOCCO
InChI
InChI=1S/C12H26O4/c1-2-3-4-5-7-14-9-11-16-12-10-15-8-6-13/h13H,2-12H2,1H3
InChIKey
RGICCULPCWNRAB-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
1
Rotatable bonds
13
H-bond acceptors
4
H-bond donors
1
Molar refractivity
63.68
TPSA
47.92

LogP / Solubility

WLOGP
1.61
MLOGP
1.42
XLogP3
1.6
Consensus LogP
1.54
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-4.08
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)
-3.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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