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CAS 141-17-3 BIS[2-(2-BUTOXYETHOXY)ETHYL] ADIPATE molecular structure lightbox
CAS RN: 141-17-3

BIS[2-(2-BUTOXYETHOXY)ETHYL] ADIPATE

  • Product code: SSC-051493
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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: 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 141-17-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

141-17-3 / bis[2-(2-butoxyethoxy)ethyl] hexanedioate

Standard CAS: 141-17-3 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
141-17-3
Multi CAS
No
Molecular Formula
C22H42O8
Molecular Weight
434.600000
Exact Mass
434.287968
SMILES
CCCCOCCOCCOC(=O)CCCCC(=O)OCCOCCOCCCC
InChI
InChI=1S/C22H42O8/c1-3-5-11-25-13-15-27-17-19-29-21(23)9-7-8-10-22(24)30-20-18-28-16-14-26-12-6-4-2/h3-20H2,1-2H3
InChIKey
SCABKEBYDRTODC-UHFFFAOYSA-N

Physical Properties

Melting Point
-47 °C
Boiling Point
240 °C @ 5 mm Hg
Physical Description
Other Solid; Liquid Insoluble in water; [ChemIDplus]
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
30
Fraction Csp3
0.91
Rotatable bonds
23
H-bond acceptors
8
Molar refractivity
113.48
TPSA
89.52

LogP / Solubility

WLOGP
3.3
MLOGP
2.93
XLogP3
2.5
Consensus LogP
2.91
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.98
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.03

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 138 of 140 companies (only 1.4% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

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